N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C17H18N6O3 — CID 166354780

IUPACN-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCn1c(=O)cc(N2CC[C@@H](NC(=O)c3ccnc4[nH]ccc34)C2)[nH]c1=O
InChIInChI=1S/C17H18N6O3/c1-22-14(24)8-13(21-17(22)26)23-7-4-10(9-23)20-16(25)12-3-6-19-15-11(12)2-5-18-15/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,18,19)(H,20,25)(H,21,26)/t10-/m1/s1
InChIKeyUOWYHDNLYJEGQV-SNVBAGLBSA-N
MW354.37 g/mol
LogP-0.04
Rot. Bonds3

About N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 166354780) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID166354780
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCn1c(=O)cc(N2CC[C@@H](NC(=O)c3ccnc4[nH]ccc34)C2)[nH]c1=O
InChIInChI=1S/C17H18N6O3/c1-22-14(24)8-13(21-17(22)26)23-7-4-10(9-23)20-16(25)12-3-6-19-15-11(12)2-5-18-15/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,18,19)(H,20,25)(H,21,26)/t10-/m1/s1
InChIKeyUOWYHDNLYJEGQV-SNVBAGLBSA-N
XLogP-0.04
TPSA115.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175648871
N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166268739
3-methyl-6-[(3S)-3-[(1-phenylimidazol-2-yl)methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 167814865
6-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 167912577
2-(2-formylpyrrol-1-yl)-3-methyl-N-[(3S)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]pentanamide
CID 166429161
3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 126946488
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338208
N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338296
3-ethyl-6-[(3R)-3-(1,8-naphthyridin-4-ylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 146112985
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268751
5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 57382847

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 166354780) is N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is Cn1c(=O)cc(N2CC[C@@H](NC(=O)c3ccnc4[nH]ccc34)C2)[nH]c1=O.
What is the InChIKey of N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is UOWYHDNLYJEGQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-22-14(24)8-13(21-17(22)26)23-7-4-10(9-23)20-16(25)12-3-6-19-15-11(12)2-5-18-15/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,18,19)(H,20,25)(H,21,26)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 166354780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).