N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide

C23H24N4O3 — CID 166181320

IUPACN-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c1
InChIInChI=1S/C23H24N4O3/c1-16(19-4-3-5-21(14-19)30-2)26-23(29)25-15-17-6-8-20(9-7-17)27-22(28)18-10-12-24-13-11-18/h3-14,16H,15H2,1-2H3,(H,27,28)(H2,25,26,29)
InChIKeyHXXSAEAFANEPBI-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.90
Rot. Bonds7

About N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide

N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 166181320) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID166181320
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c1
InChIInChI=1S/C23H24N4O3/c1-16(19-4-3-5-21(14-19)30-2)26-23(29)25-15-17-6-8-20(9-7-17)27-22(28)18-10-12-24-13-11-18/h3-14,16H,15H2,1-2H3,(H,27,28)(H2,25,26,29)
InChIKeyHXXSAEAFANEPBI-UHFFFAOYSA-N
XLogP3.90
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86994180
1-[4-[(3-methoxyphenyl)sulfonylmethyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 157293862
N-[4-[[1-(3-bromophenyl)ethylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 42958138
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
CID 134006337
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
1-[1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 42924542
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222523

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide (CID 166181320) is N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide is COc1cccc(C(C)NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)c1.
What is the InChIKey of N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is HXXSAEAFANEPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16(19-4-3-5-21(14-19)30-2)26-23(29)25-15-17-6-8-20(9-7-17)27-22(28)18-10-12-24-13-11-18/h3-14,16H,15H2,1-2H3,(H,27,28)(H2,25,26,29).
What are the key properties of N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide?
N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(3-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 166181320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).