(2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

C15H17ClN4O — CID 116564766

IUPAC(2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESNc1ncc(Cl)cc1C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C15H17ClN4O/c16-10-8-12(15(17)19-9-10)14(21)13-2-1-7-20(13)11-3-5-18-6-4-11/h1-2,7-9,11,18H,3-6H2,(H2,17,19)
InChIKeyRAUDJKOGCHSJRV-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.27
Rot. Bonds3

About (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

(2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (PubChem CID 116564766) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
PubChem CID116564766
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESNc1ncc(Cl)cc1C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C15H17ClN4O/c16-10-8-12(15(17)19-9-10)14(21)13-2-1-7-20(13)11-3-5-18-6-4-11/h1-2,7-9,11,18H,3-6H2,(H2,17,19)
InChIKeyRAUDJKOGCHSJRV-UHFFFAOYSA-N
XLogP2.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (CID 116564766) is (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is Nc1ncc(Cl)cc1C(=O)c1cccn1C1CCNCC1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The InChIKey is RAUDJKOGCHSJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-10-8-12(15(17)19-9-10)14(21)13-2-1-7-20(13)11-3-5-18-6-4-11/h1-2,7-9,11,18H,3-6H2,(H2,17,19).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone has a molecular weight of 304.78 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 116564766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).