4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C23H27N5O — CID 142753452

IUPAC4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N5O/c29-23(27-17-6-7-17)20-14-25-22-19(8-11-24-22)21(20)26-18-9-12-28(13-10-18)15-16-4-2-1-3-5-16/h1-5,8,11,14,17-18H,6-7,9-10,12-13,15H2,(H,27,29)(H2,24,25,26)
InChIKeyGFKFPDJIWVGACL-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.53
Rot. Bonds6

About 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 142753452) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID142753452
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N5O/c29-23(27-17-6-7-17)20-14-25-22-19(8-11-24-22)21(20)26-18-9-12-28(13-10-18)15-16-4-2-1-3-5-16/h1-5,8,11,14,17-18H,6-7,9-10,12-13,15H2,(H,27,29)(H2,24,25,26)
InChIKeyGFKFPDJIWVGACL-UHFFFAOYSA-N
XLogP3.53
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

4-[[(3S)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595466
N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753460
4-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757112
4-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757135
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
4-[[(3R,4R)-1-[(4-chlorophenyl)methyl]-3-fluoropiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 164818356
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595531
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 177374398

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 142753452) is 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is O=C(NC1CC1)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is GFKFPDJIWVGACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(27-17-6-7-17)20-14-25-22-19(8-11-24-22)21(20)26-18-9-12-28(13-10-18)15-16-4-2-1-3-5-16/h1-5,8,11,14,17-18H,6-7,9-10,12-13,15H2,(H,27,29)(H2,24,25,26).
What are the key properties of 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142753452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).