4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide

C13H17ClN4O — CID 47076604

IUPAC4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C13H17ClN4O/c14-11-2-1-5-15-12(11)17-6-8-18(9-7-17)13(19)16-10-3-4-10/h1-2,5,10H,3-4,6-9H2,(H,16,19)
InChIKeySHVDWNMKXNJHFK-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.73
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide (PubChem CID 47076604) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide
PubChem CID47076604
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C13H17ClN4O/c14-11-2-1-5-15-12(11)17-6-8-18(9-7-17)13(19)16-10-3-4-10/h1-2,5,10H,3-4,6-9H2,(H,16,19)
InChIKeySHVDWNMKXNJHFK-UHFFFAOYSA-N
XLogP1.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide (CID 47076604) is 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide is O=C(NC1CC1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide?
The InChIKey is SHVDWNMKXNJHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c14-11-2-1-5-15-12(11)17-6-8-18(9-7-17)13(19)16-10-3-4-10/h1-2,5,10H,3-4,6-9H2,(H,16,19).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide has a molecular weight of 280.76 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-cyclopropylpiperazine-1-carboxamide is sourced from PubChem (CID 47076604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).