4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide

C16H19ClN4O2 — CID 126445573

IUPAC4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C16H19ClN4O2/c17-13-8-14(19-10-13)16(22)20-11-15(12-2-1-3-18-9-12)21-4-6-23-7-5-21/h1-3,8-10,15,19H,4-7,11H2,(H,20,22)/t15-/m1/s1
InChIKeyNNOFCCWRSXWZDH-OAHLLOKOSA-N
MW334.81 g/mol
LogP1.87
Rot. Bonds5

About 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 126445573) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide
PubChem CID126445573
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C16H19ClN4O2/c17-13-8-14(19-10-13)16(22)20-11-15(12-2-1-3-18-9-12)21-4-6-23-7-5-21/h1-3,8-10,15,19H,4-7,11H2,(H,20,22)/t15-/m1/s1
InChIKeyNNOFCCWRSXWZDH-OAHLLOKOSA-N
XLogP1.87
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide 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-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 131895533
4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 126448553
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
CID 95227280
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97114576
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-indazole-3-carboxamide
CID 99970306
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-piperidin-1-ylbenzamide
CID 92626765
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N'-(4-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]oxamide
CID 92680930

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide (CID 126445573) is 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide is O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NNOFCCWRSXWZDH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-13-8-14(19-10-13)16(22)20-11-15(12-2-1-3-18-9-12)21-4-6-23-7-5-21/h1-3,8-10,15,19H,4-7,11H2,(H,20,22)/t15-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126445573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).