N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide

C23H26N8O2 — CID 170600238

IUPACN-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)[C@@H](C)c1nn(C)nc1-2
InChIInChI=1S/C23H26N8O2/c1-5-17(32)15-11-25-18(27-23(33)13-6-7-13)10-16(15)26-22-21-14(8-9-24-22)20-19(12(2)30(21)3)28-31(4)29-20/h8-13H,5-7H2,1-4H3,(H2,24,25,26,27,33)/t12-/m0/s1
InChIKeyDCIRJCDOGCAJNJ-LBPRGKRZSA-N
MW446.52 g/mol
LogP3.47
Rot. Bonds6

About N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 170600238) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170600238
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC NameN-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)[C@@H](C)c1nn(C)nc1-2
InChIInChI=1S/C23H26N8O2/c1-5-17(32)15-11-25-18(27-23(33)13-6-7-13)10-16(15)26-22-21-14(8-9-24-22)20-19(12(2)30(21)3)28-31(4)29-20/h8-13H,5-7H2,1-4H3,(H2,24,25,26,27,33)/t12-/m0/s1
InChIKeyDCIRJCDOGCAJNJ-LBPRGKRZSA-N
XLogP3.47
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[[(4S)-2,4-dimethyl-5-(trideuteriomethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 171663354
N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973916
N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170347942
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]pyridine-3-carboxamide
CID 164903027
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,9-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044527
N-[4-[[(4R)-2,3,4,5,8-pentamethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044532
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044553
N-[5-(3,3,3-trideuteriopropanoyl)-4-[(2,5,8-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600341
N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600201
N-[4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c]quinolin-6-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600229
N-[4-[[(4R)-2,4,5,9-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044780
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]pyridine-3-carboxamide
CID 177044825

Frequently Asked Questions

What is the IUPAC name of N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (CID 170600238) is N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)[C@@H](C)c1nn(C)nc1-2.
What is the InChIKey of N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is DCIRJCDOGCAJNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-5-17(32)15-11-25-18(27-23(33)13-6-7-13)10-16(15)26-22-21-14(8-9-24-22)20-19(12(2)30(21)3)28-31(4)29-20/h8-13H,5-7H2,1-4H3,(H2,24,25,26,27,33)/t12-/m0/s1.
What are the key properties of N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 446.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 170600238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).