N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene

C31H34ClFN6O2 — CID 171539117

IUPACN-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene
SMILESCc1cccc(F)c1-c1c(C(=O)NCCC(N)=O)c[nH]c1Nc1cc(N2CCCCC2)ccn1.Clc1ccccc1
InChIInChI=1S/C25H29FN6O2.C6H5Cl/c1-16-6-5-7-19(26)22(16)23-18(25(34)29-11-9-20(27)33)15-30-24(23)31-21-14-17(8-10-28-21)32-12-3-2-4-13-32;7-6-4-2-1-3-5-6/h5-8,10,14-15,30H,2-4,9,11-13H2,1H3,(H2,27,33)(H,28,31)(H,29,34);1-5H
InChIKeyZXJWQBYKCOJACA-UHFFFAOYSA-N
MW577.10 g/mol
LogP6.20
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene

N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene (PubChem CID 171539117) has the molecular formula C31H34ClFN6O2 and a molecular weight of 577.10 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene
PubChem CID171539117
Molecular FormulaC31H34ClFN6O2
Molecular Weight577.10 g/mol
Exact Mass576.24
IUPAC NameN-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene
SMILESCc1cccc(F)c1-c1c(C(=O)NCCC(N)=O)c[nH]c1Nc1cc(N2CCCCC2)ccn1.Clc1ccccc1
InChIInChI=1S/C25H29FN6O2.C6H5Cl/c1-16-6-5-7-19(26)22(16)23-18(25(34)29-11-9-20(27)33)15-30-24(23)31-21-14-17(8-10-28-21)32-12-3-2-4-13-32;7-6-4-2-1-3-5-6/h5-8,10,14-15,30H,2-4,9,11-13H2,1H3,(H2,27,33)(H,28,31)(H,29,34);1-5H
InChIKeyZXJWQBYKCOJACA-UHFFFAOYSA-N
XLogP6.20
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.10
LogP ≤ 56.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-(2-phenylacetyl)-1H-pyrrole-3-carboxamide
CID 171540080
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene
CID 171539568
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540110
(E)-3-amino-N-(3-amino-3-oxopropyl)-2-methanimidoyl-3-naphthalen-1-ylprop-2-enamide;chlorobenzene;ethane;N-[1-(3-fluorophenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine;methanol
CID 176995941
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
CID 109217503
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109218661
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene?
The IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene (CID 171539117) is N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene?
The canonical SMILES for N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene is Cc1cccc(F)c1-c1c(C(=O)NCCC(N)=O)c[nH]c1Nc1cc(N2CCCCC2)ccn1.Clc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene?
The InChIKey is ZXJWQBYKCOJACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2.C6H5Cl/c1-16-6-5-7-19(26)22(16)23-18(25(34)29-11-9-20(27)33)15-30-24(23)31-21-14-17(8-10-28-21)32-12-3-2-4-13-32;7-6-4-2-1-3-5-6/h5-8,10,14-15,30H,2-4,9,11-13H2,1H3,(H2,27,33)(H,28,31)(H,29,34);1-5H.
What are the key properties of N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene?
N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene has a molecular weight of 577.10 g/mol, XLogP of 6.20, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-4-(2-fluoro-6-methylphenyl)-5-[(4-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrrole-3-carboxamide;chlorobenzene is sourced from PubChem (CID 171539117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).