6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide

C24H29ClN4O2 — CID 3699462

IUPAC6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCCN1CCC(N(C(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)C2CC2)CC1
InChIInChI=1S/C24H29ClN4O2/c1-2-12-28-13-10-21(11-14-28)29(20-7-8-20)24(31)17-4-3-5-19(15-17)27-23(30)18-6-9-22(25)26-16-18/h3-6,9,15-16,20-21H,2,7-8,10-14H2,1H3,(H,27,30)
InChIKeyYEPOHIMNDMSSSP-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.47
Rot. Bonds7

About 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 3699462) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID3699462
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCCN1CCC(N(C(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)C2CC2)CC1
InChIInChI=1S/C24H29ClN4O2/c1-2-12-28-13-10-21(11-14-28)29(20-7-8-20)24(31)17-4-3-5-19(15-17)27-23(30)18-6-9-22(25)26-16-18/h3-6,9,15-16,20-21H,2,7-8,10-14H2,1H3,(H,27,30)
InChIKeyYEPOHIMNDMSSSP-UHFFFAOYSA-N
XLogP4.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4517238
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide
CID 46579918
6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 47255260
6-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 60724487
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
CID 47380551
6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
CID 106911694
N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154758
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
[3-[[4-(diethylcarbamoyl)phenyl]-(1-propylpiperidin-4-ylidene)methyl]phenyl]carbamic acid
CID 69478896
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 3699462) is 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide is CCCN1CCC(N(C(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)C2CC2)CC1.
What is the InChIKey of 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is YEPOHIMNDMSSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-2-12-28-13-10-21(11-14-28)29(20-7-8-20)24(31)17-4-3-5-19(15-17)27-23(30)18-6-9-22(25)26-16-18/h3-6,9,15-16,20-21H,2,7-8,10-14H2,1H3,(H,27,30).
What are the key properties of 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3699462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).