N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide

C24H20ClN5O2 — CID 86948427

IUPACN-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide
SMILESCC(NC(=O)/C=C/c1c(Cl)nc2ccccn12)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C24H20ClN5O2/c1-16(17-5-7-19(8-6-17)28-24(32)18-11-13-26-14-12-18)27-22(31)10-9-20-23(25)29-21-4-2-3-15-30(20)21/h2-16H,1H3,(H,27,31)(H,28,32)/b10-9+
InChIKeySIYUOPDYWGEQQR-MDZDMXLPSA-N
MW445.91 g/mol
LogP4.53
Rot. Bonds6

About N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide

N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide (PubChem CID 86948427) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide
PubChem CID86948427
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC NameN-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide
SMILESCC(NC(=O)/C=C/c1c(Cl)nc2ccccn12)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C24H20ClN5O2/c1-16(17-5-7-19(8-6-17)28-24(32)18-11-13-26-14-12-18)27-22(31)10-9-20-23(25)29-21-4-2-3-15-30(20)21/h2-16H,1H3,(H,27,31)(H,28,32)/b10-9+
InChIKeySIYUOPDYWGEQQR-MDZDMXLPSA-N
XLogP4.53
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9410017
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide
CID 26264961
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 26908510
N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 2333321
N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6900980
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262908
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262904
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 86950286
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
CID 102603263
methyl 2-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-4-methylpentanoate
CID 51162364
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141132

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide (CID 86948427) is N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide is CC(NC(=O)/C=C/c1c(Cl)nc2ccccn12)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide?
The InChIKey is SIYUOPDYWGEQQR-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-16(17-5-7-19(8-6-17)28-24(32)18-11-13-26-14-12-18)27-22(31)10-9-20-23(25)29-21-4-2-3-15-30(20)21/h2-16H,1H3,(H,27,31)(H,28,32)/b10-9+.
What are the key properties of N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide?
N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]ethyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 86948427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).