[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid

C19H23ClN4O2 — CID 134609539

IUPAC[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid
SMILESCc1ccc(N)cc1-c1cc(Cl)nc(N2CCC(C)(NC(=O)O)CC2)c1
InChIInChI=1S/C19H23ClN4O2/c1-12-3-4-14(21)11-15(12)13-9-16(20)22-17(10-13)24-7-5-19(2,6-8-24)23-18(25)26/h3-4,9-11,23H,5-8,21H2,1-2H3,(H,25,26)
InChIKeyOBKGSDJWEVPMSW-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.92
Rot. Bonds3

About [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid

[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid (PubChem CID 134609539) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid
PubChem CID134609539
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid
SMILESCc1ccc(N)cc1-c1cc(Cl)nc(N2CCC(C)(NC(=O)O)CC2)c1
InChIInChI=1S/C19H23ClN4O2/c1-12-3-4-14(21)11-15(12)13-9-16(20)22-17(10-13)24-7-5-19(2,6-8-24)23-18(25)26/h3-4,9-11,23H,5-8,21H2,1-2H3,(H,25,26)
InChIKeyOBKGSDJWEVPMSW-UHFFFAOYSA-N
XLogP3.92
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-6-chloro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 104924805
4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
CID 176803233
N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide
CID 19694928
[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 146345882
[4-methyl-1-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamic acid
CID 139434669
2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
CID 118949100
[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155045808
tert-butyl N-[(3S)-1-[6-amino-4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]carbamate
CID 159298366
tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate
CID 19694924
[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid
CID 118239519
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline
CID 118938849

Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid?
The IUPAC name of [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid (CID 134609539) is [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid is Cc1ccc(N)cc1-c1cc(Cl)nc(N2CCC(C)(NC(=O)O)CC2)c1.
What is the InChIKey of [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid?
The InChIKey is OBKGSDJWEVPMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-3-4-14(21)11-15(12)13-9-16(20)22-17(10-13)24-7-5-19(2,6-8-24)23-18(25)26/h3-4,9-11,23H,5-8,21H2,1-2H3,(H,25,26).
What are the key properties of [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid?
[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid has a molecular weight of 374.87 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamic acid is sourced from PubChem (CID 134609539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).