N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide

C20H19N7O3 — CID 135589707

IUPACN-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide
SMILESC[C@@H]1[C@@H](C)Nc2nc(NC(=O)c3cccnc3)[nH]c(=O)c2N1C(=O)c1cccnc1
InChIInChI=1S/C20H19N7O3/c1-11-12(2)27(19(30)14-6-4-8-22-10-14)15-16(23-11)24-20(26-18(15)29)25-17(28)13-5-3-7-21-9-13/h3-12H,1-2H3,(H3,23,24,25,26,28,29)/t11-,12-/m1/s1
InChIKeyIBWGVQSAMYHTBV-VXGBXAGGSA-N
MW405.42 g/mol
LogP1.66
Rot. Bonds3

About N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide

N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide (PubChem CID 135589707) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide
PubChem CID135589707
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC NameN-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide
SMILESC[C@@H]1[C@@H](C)Nc2nc(NC(=O)c3cccnc3)[nH]c(=O)c2N1C(=O)c1cccnc1
InChIInChI=1S/C20H19N7O3/c1-11-12(2)27(19(30)14-6-4-8-22-10-14)15-16(23-11)24-20(26-18(15)29)25-17(28)13-5-3-7-21-9-13/h3-12H,1-2H3,(H3,23,24,25,26,28,29)/t11-,12-/m1/s1
InChIKeyIBWGVQSAMYHTBV-VXGBXAGGSA-N
XLogP1.66
TPSA132.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(6S,7S)-6,7-dimethyl-5-(1-methylpyridin-1-ium-3-carbonyl)-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]-1-methylpyridin-1-ium-3-carboxamide
CID 135589720
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
CID 17424246
3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 76534805
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 78928131
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702
trimethyl-(pyridine-3-carbonylamino)azanium
CID 177120197
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]pyridine-3-carboxamide
CID 57172039
N-[2-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 4538085

Frequently Asked Questions

What is the IUPAC name of N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide (CID 135589707) is N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide is C[C@@H]1[C@@H](C)Nc2nc(NC(=O)c3cccnc3)[nH]c(=O)c2N1C(=O)c1cccnc1.
What is the InChIKey of N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide?
The InChIKey is IBWGVQSAMYHTBV-VXGBXAGGSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-11-12(2)27(19(30)14-6-4-8-22-10-14)15-16(23-11)24-20(26-18(15)29)25-17(28)13-5-3-7-21-9-13/h3-12H,1-2H3,(H3,23,24,25,26,28,29)/t11-,12-/m1/s1.
What are the key properties of N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide?
N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R,7R)-6,7-dimethyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135589707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).