4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide

C23H21N5O3 — CID 56584450

IUPAC4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1
InChIInChI=1S/C23H21N5O3/c24-23(30)25-13-16-7-9-17(10-8-16)22(29)27-18-4-3-5-20(12-18)31-15-19-14-28-11-2-1-6-21(28)26-19/h1-12,14H,13,15H2,(H,27,29)(H3,24,25,30)
InChIKeyJVCVQHKYZGQECL-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.33
Rot. Bonds7

About 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide

4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide (PubChem CID 56584450) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
PubChem CID56584450
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1
InChIInChI=1S/C23H21N5O3/c24-23(30)25-13-16-7-9-17(10-8-16)22(29)27-18-4-3-5-20(12-18)31-15-19-14-28-11-2-1-6-21(28)26-19/h1-12,14H,13,15H2,(H,27,29)(H3,24,25,30)
InChIKeyJVCVQHKYZGQECL-UHFFFAOYSA-N
XLogP3.33
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
4-(diethylaminomethyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530632
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 56530937
3,4-difluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530610
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582393
4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582434
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 40723689
4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56537727
methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate
CID 55848603

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide (CID 56584450) is 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide is NC(=O)NCc1ccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide?
The InChIKey is JVCVQHKYZGQECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c24-23(30)25-13-16-7-9-17(10-8-16)22(29)27-18-4-3-5-20(12-18)31-15-19-14-28-11-2-1-6-21(28)26-19/h1-12,14H,13,15H2,(H,27,29)(H3,24,25,30).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide?
4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide has a molecular weight of 415.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 56584450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).