4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide

C25H31N7O — CID 142557245

IUPAC4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc3c(c2)CCNC3)cc1Nc1ccnc(C(C)(C)C)n1
InChIInChI=1S/C25H31N7O/c1-5-27-23(33)19-15-29-22(30-18-7-6-17-14-26-10-8-16(17)12-18)13-20(19)31-21-9-11-28-24(32-21)25(2,3)4/h6-7,9,11-13,15,26H,5,8,10,14H2,1-4H3,(H,27,33)(H2,28,29,30,31,32)
InChIKeyAMTHPNSKDULRLJ-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.05
Rot. Bonds6

About 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide

4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 142557245) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID142557245
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc3c(c2)CCNC3)cc1Nc1ccnc(C(C)(C)C)n1
InChIInChI=1S/C25H31N7O/c1-5-27-23(33)19-15-29-22(30-18-7-6-17-14-26-10-8-16(17)12-18)13-20(19)31-21-9-11-28-24(32-21)25(2,3)4/h6-7,9,11-13,15,26H,5,8,10,14H2,1-4H3,(H,27,33)(H2,28,29,30,31,32)
InChIKeyAMTHPNSKDULRLJ-UHFFFAOYSA-N
XLogP4.05
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
CID 142557248
N-cyclopropyl-4-[[6-(1-hydroxy-2-methylpropan-2-yl)-2-pyridinyl]amino]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 138554143
4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557648
6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 142557613
6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide
CID 142557326
6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 142557686
4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557915
N-ethyl-4-[(6-propan-2-yloxy-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557620
4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557902
4-[(6-tert-butyl-2-pyridinyl)amino]-N-(cyclobutylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557484
2-ethyl-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138537987
4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554048

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide (CID 142557245) is 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide is CCNC(=O)c1cnc(Nc2ccc3c(c2)CCNC3)cc1Nc1ccnc(C(C)(C)C)n1.
What is the InChIKey of 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is AMTHPNSKDULRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-5-27-23(33)19-15-29-22(30-18-7-6-17-14-26-10-8-16(17)12-18)13-20(19)31-21-9-11-28-24(32-21)25(2,3)4/h6-7,9,11-13,15,26H,5,8,10,14H2,1-4H3,(H,27,33)(H2,28,29,30,31,32).
What are the key properties of 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.05, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 142557245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).