(2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen

C17H24N6O — CID 158568909

IUPAC(2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen
SMILESC[C@H](Nc1ccnc(-c2ccnc3[nH]ccc23)n1)C(=O)NC1CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H18N6O.3H2/c1-10(17(24)22-11-2-3-11)21-14-6-9-20-16(23-14)13-5-8-19-15-12(13)4-7-18-15;;;/h4-11H,2-3H2,1H3,(H,18,19)(H,22,24)(H,20,21,23);3*1H/t10-;;;/m0.../s1
InChIKeyHRVJOZKOKOENHQ-KAFJHEIMSA-N
MW328.42 g/mol
LogP2.84
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen

(2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen (PubChem CID 158568909) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen
PubChem CID158568909
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen
SMILESC[C@H](Nc1ccnc(-c2ccnc3[nH]ccc23)n1)C(=O)NC1CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H18N6O.3H2/c1-10(17(24)22-11-2-3-11)21-14-6-9-20-16(23-14)13-5-8-19-15-12(13)4-7-18-15;;;/h4-11H,2-3H2,1H3,(H,18,19)(H,22,24)(H,20,21,23);3*1H/t10-;;;/m0.../s1
InChIKeyHRVJOZKOKOENHQ-KAFJHEIMSA-N
XLogP2.84
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen with MolForge

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Related Compounds

(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
CID 165404742
N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide
CID 117084829
4-N-cyclopropyl-6-[(R)-methoxy(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 145406994
N-cyclopropyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136976813
(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propan-2-ylbutanamide
CID 59422197
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
N-[(2R)-butan-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide;molecular hydrogen
CID 158923245
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603267
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 137016632
N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 54902257
N-cyclohexyl-2-(2-iodoanilino)propanamide
CID 43083874

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen?
The IUPAC name of (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen (CID 158568909) is (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen is C[C@H](Nc1ccnc(-c2ccnc3[nH]ccc23)n1)C(=O)NC1CC1.[H][H].[H][H].[H][H].
What is the InChIKey of (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen?
The InChIKey is HRVJOZKOKOENHQ-KAFJHEIMSA-N. The full InChI is InChI=1S/C17H18N6O.3H2/c1-10(17(24)22-11-2-3-11)21-14-6-9-20-16(23-14)13-5-8-19-15-12(13)4-7-18-15;;;/h4-11H,2-3H2,1H3,(H,18,19)(H,22,24)(H,20,21,23);3*1H/t10-;;;/m0.../s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen?
(2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen has a molecular weight of 328.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]propanamide;molecular hydrogen is sourced from PubChem (CID 158568909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).