N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C26H31N5O — CID 68711897

IUPACN-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC(CCN1CCCC1)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C26H31N5O/c32-26(29-24(21-7-2-1-3-8-21)12-16-30-14-4-5-15-30)31-17-10-20(11-18-31)23-19-28-25-22(23)9-6-13-27-25/h1-3,6-10,13,19,24H,4-5,11-12,14-18H2,(H,27,28)(H,29,32)
InChIKeyJVMWZRNQIPIESB-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.59
Rot. Bonds6

About N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 68711897) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID68711897
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC(CCN1CCCC1)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C26H31N5O/c32-26(29-24(21-7-2-1-3-8-21)12-16-30-14-4-5-15-30)31-17-10-20(11-18-31)23-19-28-25-22(23)9-6-13-27-25/h1-3,6-10,13,19,24H,4-5,11-12,14-18H2,(H,27,28)(H,29,32)
InChIKeyJVMWZRNQIPIESB-UHFFFAOYSA-N
XLogP4.59
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634017
benzyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44633230
N-[(2-bromophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68710122
N-[(2-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634277
N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide
CID 24676118
cyclopropyl-[(3S)-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]methanone
CID 97013141
N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide
CID 24632245
N-[2-(4-fluorophenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632510
N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68712699
N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 165340215
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601
N-[(3-fluorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634149

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 68711897) is N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NC(CCN1CCCC1)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is JVMWZRNQIPIESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c32-26(29-24(21-7-2-1-3-8-21)12-16-30-14-4-5-15-30)31-17-10-20(11-18-31)23-19-28-25-22(23)9-6-13-27-25/h1-3,6-10,13,19,24H,4-5,11-12,14-18H2,(H,27,28)(H,29,32).
What are the key properties of N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-3-pyrrolidin-1-ylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 68711897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).