6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide

C16H17Cl2N5O — CID 50976512

IUPAC6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(Cc3c(Cl)cncc3Cl)CC2)nc1
InChIInChI=1S/C16H17Cl2N5O/c17-13-8-20-9-14(18)12(13)10-22-3-5-23(6-4-22)15-2-1-11(7-21-15)16(19)24/h1-2,7-9H,3-6,10H2,(H2,19,24)
InChIKeyIBBQPMATBNGFKX-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.20
Rot. Bonds4

About 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide

6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 50976512) has the molecular formula C16H17Cl2N5O and a molecular weight of 366.25 g/mol. Its IUPAC name is 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID50976512
Molecular FormulaC16H17Cl2N5O
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC Name6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCN(Cc3c(Cl)cncc3Cl)CC2)nc1
InChIInChI=1S/C16H17Cl2N5O/c17-13-8-20-9-14(18)12(13)10-22-3-5-23(6-4-22)15-2-1-11(7-21-15)16(19)24/h1-2,7-9H,3-6,10H2,(H2,19,24)
InChIKeyIBBQPMATBNGFKX-UHFFFAOYSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 50976512) is 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCN(Cc3c(Cl)cncc3Cl)CC2)nc1.
What is the InChIKey of 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is IBBQPMATBNGFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O/c17-13-8-20-9-14(18)12(13)10-22-3-5-23(6-4-22)15-2-1-11(7-21-15)16(19)24/h1-2,7-9H,3-6,10H2,(H2,19,24).
What are the key properties of 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-dichloro-4-pyridinyl)methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 50976512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).