N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide

C17H17ClN4O2 — CID 75503898

IUPACN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide
SMILESN#Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c[nH]1
InChIInChI=1S/C17H17ClN4O2/c18-16-8-14(21-17(23)13-7-15(9-19)20-10-13)2-1-12(16)11-22-3-5-24-6-4-22/h1-2,7-8,10,20H,3-6,11H2,(H,21,23)
InChIKeyDFCRKGSUPGPWAR-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.62
Rot. Bonds4

About N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide (PubChem CID 75503898) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide
PubChem CID75503898
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide
SMILESN#Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c[nH]1
InChIInChI=1S/C17H17ClN4O2/c18-16-8-14(21-17(23)13-7-15(9-19)20-10-13)2-1-12(16)11-22-3-5-24-6-4-22/h1-2,7-8,10,20H,3-6,11H2,(H,21,23)
InChIKeyDFCRKGSUPGPWAR-UHFFFAOYSA-N
XLogP2.62
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
CID 84600438
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
CID 75520574
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 155949254
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
CID 110609625
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide
CID 143323712
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
3-methyl-N-(4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 157492657
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110609639
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide (CID 75503898) is N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide is N#Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c[nH]1.
What is the InChIKey of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide?
The InChIKey is DFCRKGSUPGPWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-16-8-14(21-17(23)13-7-15(9-19)20-10-13)2-1-12(16)11-22-3-5-24-6-4-22/h1-2,7-8,10,20H,3-6,11H2,(H,21,23).
What are the key properties of N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide?
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-cyano-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 75503898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).