2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane

C26H25N7O — CID 156830078

IUPAC2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane
SMILESC1CC1.Cc1cc2cc(C(=O)N(Cc3ccc(C#N)cn3)Cc3ncccn3)ccc2nc1N
InChIInChI=1S/C23H19N7O.C3H6/c1-15-9-18-10-17(4-6-20(18)29-22(15)25)23(31)30(14-21-26-7-2-8-27-21)13-19-5-3-16(11-24)12-28-19;1-2-3-1/h2-10,12H,13-14H2,1H3,(H2,25,29);1-3H2
InChIKeyJLKVSBGIROIPKL-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.20
Rot. Bonds5

About 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane

2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane (PubChem CID 156830078) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane.

Molecular Properties

Compound Name2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane
PubChem CID156830078
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane
SMILESC1CC1.Cc1cc2cc(C(=O)N(Cc3ccc(C#N)cn3)Cc3ncccn3)ccc2nc1N
InChIInChI=1S/C23H19N7O.C3H6/c1-15-9-18-10-17(4-6-20(18)29-22(15)25)23(31)30(14-21-26-7-2-8-27-21)13-19-5-3-16(11-24)12-28-19;1-2-3-1/h2-10,12H,13-14H2,1H3,(H2,25,29);1-3H2
InChIKeyJLKVSBGIROIPKL-UHFFFAOYSA-N
XLogP4.20
TPSA121.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 156830557
2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide
CID 166709843
methyl 4-[6-[[(2-amino-3-methylquinoline-6-carbonyl)-(pyrimidin-2-ylmethyl)amino]methyl]-3-pyridinyl]piperidine-1-carboxylate
CID 166719423
2-amino-N-[(2,6-difluorophenyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830825
2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide
CID 166709785
2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide
CID 156830196
2-amino-N-but-3-ynyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830876
2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide
CID 156830958
2-amino-N-[(4-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830648
(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 174220402
2-amino-3-methyl-N-[(3R)-3-pyrazol-1-ylbutyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710055
2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide
CID 156830444

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane?
The IUPAC name of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane (CID 156830078) is 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane.
What is the SMILES notation for 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane?
The canonical SMILES for 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane is C1CC1.Cc1cc2cc(C(=O)N(Cc3ccc(C#N)cn3)Cc3ncccn3)ccc2nc1N.
What is the InChIKey of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane?
The InChIKey is JLKVSBGIROIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O.C3H6/c1-15-9-18-10-17(4-6-20(18)29-22(15)25)23(31)30(14-21-26-7-2-8-27-21)13-19-5-3-16(11-24)12-28-19;1-2-3-1/h2-10,12H,13-14H2,1H3,(H2,25,29);1-3H2.
What are the key properties of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane?
2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane has a molecular weight of 451.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane is sourced from PubChem (CID 156830078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).