2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide

C17H20ClN5O2 — CID 57394260

IUPAC2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)[nH]1
InChIInChI=1S/C17H20ClN5O2/c1-10-2-3-13(20-10)17(25)21-12-4-6-23(7-5-12)15-9-11(16(19)24)8-14(18)22-15/h2-3,8-9,12,20H,4-7H2,1H3,(H2,19,24)(H,21,25)
InChIKeySJUVDTGGQJYTJG-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.87
Rot. Bonds4

About 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide

2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 57394260) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID57394260
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)[nH]1
InChIInChI=1S/C17H20ClN5O2/c1-10-2-3-13(20-10)17(25)21-12-4-6-23(7-5-12)15-9-11(16(19)24)8-14(18)22-15/h2-3,8-9,12,20H,4-7H2,1H3,(H2,19,24)(H,21,25)
InChIKeySJUVDTGGQJYTJG-UHFFFAOYSA-N
XLogP1.87
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide (CID 57394260) is 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide is Cc1ccc(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)[nH]1.
What is the InChIKey of 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is SJUVDTGGQJYTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-10-2-3-13(20-10)17(25)21-12-4-6-23(7-5-12)15-9-11(16(19)24)8-14(18)22-15/h2-3,8-9,12,20H,4-7H2,1H3,(H2,19,24)(H,21,25).
What are the key properties of 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-[(5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 57394260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).