N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide

C24H23N5O — CID 71127043

IUPACN-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
SMILESCNc1cc(NC(=O)C2(c3ccc(-c4cnc5[nH]ccc5c4)cc3)CCC2)ccn1
InChIInChI=1S/C24H23N5O/c1-25-21-14-20(8-12-26-21)29-23(30)24(9-2-10-24)19-5-3-16(4-6-19)18-13-17-7-11-27-22(17)28-15-18/h3-8,11-15H,2,9-10H2,1H3,(H,27,28)(H2,25,26,29,30)
InChIKeyDVUNPBSGNXPDGH-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.73
Rot. Bonds5

About N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide

N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 71127043) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
PubChem CID71127043
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
SMILESCNc1cc(NC(=O)C2(c3ccc(-c4cnc5[nH]ccc5c4)cc3)CCC2)ccn1
InChIInChI=1S/C24H23N5O/c1-25-21-14-20(8-12-26-21)29-23(30)24(9-2-10-24)19-5-3-16(4-6-19)18-13-17-7-11-27-22(17)28-15-18/h3-8,11-15H,2,9-10H2,1H3,(H,27,28)(H2,25,26,29,30)
InChIKeyDVUNPBSGNXPDGH-UHFFFAOYSA-N
XLogP4.73
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide with MolForge

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Related Compounds

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide
CID 57406950
tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
CID 86671106
4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide
CID 138562428
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid
CID 63650023
N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide
CID 138562370
1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide
CID 51113892
1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide
CID 60580980
2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464337
1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166214
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide
CID 57407330
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide
CID 67973401

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide (CID 71127043) is N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide is CNc1cc(NC(=O)C2(c3ccc(-c4cnc5[nH]ccc5c4)cc3)CCC2)ccn1.
What is the InChIKey of N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is DVUNPBSGNXPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-25-21-14-20(8-12-26-21)29-23(30)24(9-2-10-24)19-5-3-16(4-6-19)18-13-17-7-11-27-22(17)28-15-18/h3-8,11-15H,2,9-10H2,1H3,(H,27,28)(H2,25,26,29,30).
What are the key properties of N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide?
N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 71127043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).