4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide

C14H15ClN4O2 — CID 18145943

IUPAC4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H15ClN4O2/c15-10-7-12(16-8-10)14(20)18-11-1-2-13(17-9-11)19-3-5-21-6-4-19/h1-2,7-9,16H,3-6H2,(H,18,20)
InChIKeyTTXWJCXDURFDPY-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.15
Rot. Bonds3

About 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide

4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 18145943) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID18145943
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H15ClN4O2/c15-10-7-12(16-8-10)14(20)18-11-1-2-13(17-9-11)19-3-5-21-6-4-19/h1-2,7-9,16H,3-6H2,(H,18,20)
InChIKeyTTXWJCXDURFDPY-UHFFFAOYSA-N
XLogP2.15
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 43038049
2-(4-chlorophenyl)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55871199
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
CID 84553160
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 46684120
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide (CID 18145943) is 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is TTXWJCXDURFDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-10-7-12(16-8-10)14(20)18-11-1-2-13(17-9-11)19-3-5-21-6-4-19/h1-2,7-9,16H,3-6H2,(H,18,20).
What are the key properties of 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18145943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).