N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

C20H25N5O3 — CID 171138978

IUPACN-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)C(C)NC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N5O3/c1-15(19(26)23-16-7-3-4-8-17(16)28-2)22-20(27)25-13-11-24(12-14-25)18-9-5-6-10-21-18/h3-10,15H,11-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyAGMPHAHISAEGQG-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.95
Rot. Bonds5

About N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 171138978) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID171138978
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)C(C)NC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N5O3/c1-15(19(26)23-16-7-3-4-8-17(16)28-2)22-20(27)25-13-11-24(12-14-25)18-9-5-6-10-21-18/h3-10,15H,11-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyAGMPHAHISAEGQG-UHFFFAOYSA-N
XLogP1.95
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368538
N-[1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368744
N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368793
2-(2-methoxyphenyl)-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 95100131
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53369623
N-[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96564094
N-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71691785
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
N-[(2S)-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 52901177
N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 97267692
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446137

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 171138978) is N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is COc1ccccc1NC(=O)C(C)NC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is AGMPHAHISAEGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15(19(26)23-16-7-3-4-8-17(16)28-2)22-20(27)25-13-11-24(12-14-25)18-9-5-6-10-21-18/h3-10,15H,11-14H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 171138978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).