2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C20H26N4O4S — CID 55571603

IUPAC2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C20H26N4O4S/c1-15(22-17-8-11-19(28-2)21-14-17)20(25)23-16-6-9-18(10-7-16)29(26,27)24-12-4-3-5-13-24/h6-11,14-15,22H,3-5,12-13H2,1-2H3,(H,23,25)
InChIKeyPSVDCZVPWSYSSN-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.70
Rot. Bonds7

About 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55571603) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55571603
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C20H26N4O4S/c1-15(22-17-8-11-19(28-2)21-14-17)20(25)23-16-6-9-18(10-7-16)29(26,27)24-12-4-3-5-13-24/h6-11,14-15,22H,3-5,12-13H2,1-2H3,(H,23,25)
InChIKeyPSVDCZVPWSYSSN-UHFFFAOYSA-N
XLogP2.70
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309301
(2S)-2-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41157437
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17446764
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(2,2,2-trifluoroethoxy)anilino]propanamide
CID 42119298
(2S)-2-(2-ethoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7509820
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46411016
(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2369628
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41156755
(2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9110381
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide
CID 2210421

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 55571603) is 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(NC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is PSVDCZVPWSYSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-15(22-17-8-11-19(28-2)21-14-17)20(25)23-16-6-9-18(10-7-16)29(26,27)24-12-4-3-5-13-24/h6-11,14-15,22H,3-5,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 418.52 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55571603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).