4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide

C20H21N5O3 — CID 145406994

IUPAC4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc([C@H](OC)c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C20H21N5O3/c1-21-20(27)16-10-11(19(26)24-12-3-4-12)9-15(25-16)17(28-2)13-5-7-22-18-14(13)6-8-23-18/h5-10,12,17H,3-4H2,1-2H3,(H,21,27)(H,22,23)(H,24,26)/t17-/m1/s1
InChIKeyYKJBXSXTYBJPCV-QGZVFWFLSA-N
MW379.42 g/mol
LogP1.95
Rot. Bonds6

About 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide

4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 145406994) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID145406994
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc([C@H](OC)c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C20H21N5O3/c1-21-20(27)16-10-11(19(26)24-12-3-4-12)9-15(25-16)17(28-2)13-5-7-22-18-14(13)6-8-23-18/h5-10,12,17H,3-4H2,1-2H3,(H,21,27)(H,22,23)(H,24,26)/t17-/m1/s1
InChIKeyYKJBXSXTYBJPCV-QGZVFWFLSA-N
XLogP1.95
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 139295953
4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 145407052
(2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen
CID 158568909
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 175774650
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
4-N-[(1R,5S,6R)-2-[3-[(R)-methoxy-[6-(methylcarbamoyl)-4-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]-2-pyridinyl]methyl]phenyl]-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(S)-methoxy(phenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131997367
5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142418097
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
6-[methoxy(phenyl)methyl]-N,4-dimethylpyridine-2-carboxamide
CID 155238147

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide (CID 145406994) is 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cc([C@H](OC)c2ccnc3[nH]ccc23)n1.
What is the InChIKey of 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is YKJBXSXTYBJPCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-21-20(27)16-10-11(19(26)24-12-3-4-12)9-15(25-16)17(28-2)13-5-7-22-18-14(13)6-8-23-18/h5-10,12,17H,3-4H2,1-2H3,(H,21,27)(H,22,23)(H,24,26)/t17-/m1/s1.
What are the key properties of 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide?
4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 145406994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).