N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide

C24H26ClN5O4 — CID 67509775

IUPACN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccc(Cl)cc2)c1)C1(C(N)=O)OCCO1
InChIInChI=1S/C24H26ClN5O4/c1-2-3-6-20(24(23(26)32)33-12-13-34-24)29-22(31)18-5-4-11-27-21(18)30-14-19(28-15-30)16-7-9-17(25)10-8-16/h4-5,7-11,14-15,20H,2-3,6,12-13H2,1H3,(H2,26,32)(H,29,31)
InChIKeySSXBHRZQFBLDGX-UHFFFAOYSA-N
MW483.96 g/mol
LogP3.10
Rot. Bonds9

About N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide (PubChem CID 67509775) has the molecular formula C24H26ClN5O4 and a molecular weight of 483.96 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide
PubChem CID67509775
Molecular FormulaC24H26ClN5O4
Molecular Weight483.96 g/mol
Exact Mass483.17
IUPAC NameN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccc(Cl)cc2)c1)C1(C(N)=O)OCCO1
InChIInChI=1S/C24H26ClN5O4/c1-2-3-6-20(24(23(26)32)33-12-13-34-24)29-22(31)18-5-4-11-27-21(18)30-14-19(28-15-30)16-7-9-17(25)10-8-16/h4-5,7-11,14-15,20H,2-3,6,12-13H2,1H3,(H2,26,32)(H,29,31)
InChIKeySSXBHRZQFBLDGX-UHFFFAOYSA-N
XLogP3.10
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine-3-carboxamide
CID 141244866
N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 141244760
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 67508620
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-[4-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 67509576
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(4,5-dihydrobenzo[g]indazol-2-yl)pyridine-3-carboxamide
CID 67508784
N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66719963
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide
CID 67509550
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide
CID 67509180
2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide
CID 67509944
N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 141244816
N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide
CID 70030685
N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 141244825

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide (CID 67509775) is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide is CCCCC(NC(=O)c1cccnc1-n1cnc(-c2ccc(Cl)cc2)c1)C1(C(N)=O)OCCO1.
What is the InChIKey of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide?
The InChIKey is SSXBHRZQFBLDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4/c1-2-3-6-20(24(23(26)32)33-12-13-34-24)29-22(31)18-5-4-11-27-21(18)30-14-19(28-15-30)16-7-9-17(25)10-8-16/h4-5,7-11,14-15,20H,2-3,6,12-13H2,1H3,(H2,26,32)(H,29,31).
What are the key properties of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide?
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide has a molecular weight of 483.96 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)pentyl]-2-[4-(4-chlorophenyl)imidazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67509775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).