N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide

C27H25N5O3 — CID 146152381

IUPACN-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(Nc2ccccc2)nc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H25N5O3/c28-27(34)32-24(19-8-7-13-23(16-19)35-22-11-5-2-6-12-22)17-26(33)31-21-14-15-25(29-18-21)30-20-9-3-1-4-10-20/h1-16,18,24H,17H2,(H,29,30)(H,31,33)(H3,28,32,34)
InChIKeyWODUCSRVCIHJCK-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.36
Rot. Bonds9

About N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide

N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide (PubChem CID 146152381) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
PubChem CID146152381
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC NameN-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(Nc2ccccc2)nc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H25N5O3/c28-27(34)32-24(19-8-7-13-23(16-19)35-22-11-5-2-6-12-22)17-26(33)31-21-14-15-25(29-18-21)30-20-9-3-1-4-10-20/h1-16,18,24H,17H2,(H,29,30)(H,31,33)(H3,28,32,34)
InChIKeyWODUCSRVCIHJCK-UHFFFAOYSA-N
XLogP5.36
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-(3-phenoxyphenyl)propanamide
CID 34444234
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620
(3S)-3-(carbamoylamino)-N-(3-methylsulfanylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9402974
3-(carbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-phenoxyphenyl)propanamide
CID 4797821
3-(carbamoylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-phenoxyphenyl)propanamide
CID 85484955
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide
CID 34192223
[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea
CID 9333202
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 94017927

Frequently Asked Questions

What is the IUPAC name of N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide (CID 146152381) is N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide is NC(=O)NC(CC(=O)Nc1ccc(Nc2ccccc2)nc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is WODUCSRVCIHJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c28-27(34)32-24(19-8-7-13-23(16-19)35-22-11-5-2-6-12-22)17-26(33)31-21-14-15-25(29-18-21)30-20-9-3-1-4-10-20/h1-16,18,24H,17H2,(H,29,30)(H,31,33)(H3,28,32,34).
What are the key properties of N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide?
N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 467.53 g/mol, XLogP of 5.36, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 146152381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).