N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide

C17H18ClN5O5 — CID 167775210

IUPACN-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](O)CNC(=O)c2cc(=O)cc[nH]2)c1
InChIInChI=1S/C17H18ClN5O5/c18-13-2-1-9(23-17(19)28)5-12(13)15(26)21-7-11(25)8-22-16(27)14-6-10(24)3-4-20-14/h1-6,11,25H,7-8H2,(H,20,24)(H,21,26)(H,22,27)(H3,19,23,28)/t11-/m1/s1
InChIKeyCWMLZFUVHVROSB-LLVKDONJSA-N
MW407.81 g/mol
LogP0.04
Rot. Bonds7

About N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide

N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 167775210) has the molecular formula C17H18ClN5O5 and a molecular weight of 407.81 g/mol. Its IUPAC name is N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide
PubChem CID167775210
Molecular FormulaC17H18ClN5O5
Molecular Weight407.81 g/mol
Exact Mass407.10
IUPAC NameN-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](O)CNC(=O)c2cc(=O)cc[nH]2)c1
InChIInChI=1S/C17H18ClN5O5/c18-13-2-1-9(23-17(19)28)5-12(13)15(26)21-7-11(25)8-22-16(27)14-6-10(24)3-4-20-14/h1-6,11,25H,7-8H2,(H,20,24)(H,21,26)(H,22,27)(H3,19,23,28)/t11-/m1/s1
InChIKeyCWMLZFUVHVROSB-LLVKDONJSA-N
XLogP0.04
TPSA166.41 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.81
LogP ≤ 50.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110848373
N-(3-amino-2-methylpropyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119997159
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40653606
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 107150578
N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide
CID 110856202
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide
CID 66177691
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
CID 171092005
CID 171092005
N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119495881
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide (CID 167775210) is N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide is NC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](O)CNC(=O)c2cc(=O)cc[nH]2)c1.
What is the InChIKey of N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is CWMLZFUVHVROSB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClN5O5/c18-13-2-1-9(23-17(19)28)5-12(13)15(26)21-7-11(25)8-22-16(27)14-6-10(24)3-4-20-14/h1-6,11,25H,7-8H2,(H,20,24)(H,21,26)(H,22,27)(H3,19,23,28)/t11-/m1/s1.
What are the key properties of N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide?
N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 407.81 g/mol, XLogP of 0.04, 7 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[[5-(carbamoylamino)-2-chlorobenzoyl]amino]-2-hydroxypropyl]-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 167775210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).