N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C14H18N4O2 — CID 166251105

IUPACN-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cncc2[nH]ccc12)C(C)C
InChIInChI=1S/C14H18N4O2/c1-8(2)12(14(20)15-3)18-13(19)10-6-16-7-11-9(10)4-5-17-11/h4-8,12,17H,1-3H3,(H,15,20)(H,18,19)/t12-/m0/s1
InChIKeyUPJKFKYPQPRPQC-LBPRGKRZSA-N
MW274.32 g/mol
LogP1.06
Rot. Bonds4

About N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 166251105) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID166251105
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cncc2[nH]ccc12)C(C)C
InChIInChI=1S/C14H18N4O2/c1-8(2)12(14(20)15-3)18-13(19)10-6-16-7-11-9(10)4-5-17-11/h4-8,12,17H,1-3H3,(H,15,20)(H,18,19)/t12-/m0/s1
InChIKeyUPJKFKYPQPRPQC-LBPRGKRZSA-N
XLogP1.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
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2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
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4-chloro-N-[(2S)-1-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
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N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 166251105) is N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)[C@@H](NC(=O)c1cncc2[nH]ccc12)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is UPJKFKYPQPRPQC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(2)12(14(20)15-3)18-13(19)10-6-16-7-11-9(10)4-5-17-11/h4-8,12,17H,1-3H3,(H,15,20)(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 166251105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).