(2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine

C19H28N6O2 — CID 164908612

IUPAC(2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine
SMILESCN1CCCCC1C(=O)Oc1ccccc1N.CNc1ccc(N)c(N)n1
InChIInChI=1S/C13H18N2O2.C6H10N4/c1-15-9-5-4-7-11(15)13(16)17-12-8-3-2-6-10(12)14;1-9-5-3-2-4(7)6(8)10-5/h2-3,6,8,11H,4-5,7,9,14H2,1H3;2-3H,7H2,1H3,(H3,8,9,10)
InChIKeyKITUKTNMMKCNLN-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.95
Rot. Bonds3

About (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine

(2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine (PubChem CID 164908612) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name(2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine
PubChem CID164908612
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine
SMILESCN1CCCCC1C(=O)Oc1ccccc1N.CNc1ccc(N)c(N)n1
InChIInChI=1S/C13H18N2O2.C6H10N4/c1-15-9-5-4-7-11(15)13(16)17-12-8-3-2-6-10(12)14;1-9-5-3-2-4(7)6(8)10-5/h2-3,6,8,11H,4-5,7,9,14H2,1H3;2-3H,7H2,1H3,(H3,8,9,10)
InChIKeyKITUKTNMMKCNLN-UHFFFAOYSA-N
XLogP1.95
TPSA132.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5055611
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 3224966
Pentanedioic acid cyclohexylcarbamoylmethyl-(2-ethoxy-phenyl)-amide pyridin-2-ylamide
CID 647847
Pyridin-2-amine, N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methylethyl]-
CID 609482
1-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one
CID 2729091
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-yl)acetamide
CID 10019285
1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea
CID 164635904
1-(2-Ethoxy-5-fluorophenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea
CID 69452722
[2-[[2-Amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] 2,2,2-trifluoroacetate
CID 175516437
N-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}pyridin-2-amine monohydrate
CID 139079173
4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide
CID 136524268
4-(4-fluoro-2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 154794874

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine?
The IUPAC name of (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine (CID 164908612) is (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine.
What is the SMILES notation for (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine?
The canonical SMILES for (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine is CN1CCCCC1C(=O)Oc1ccccc1N.CNc1ccc(N)c(N)n1.
What is the InChIKey of (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine?
The InChIKey is KITUKTNMMKCNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C6H10N4/c1-15-9-5-4-7-11(15)13(16)17-12-8-3-2-6-10(12)14;1-9-5-3-2-4(7)6(8)10-5/h2-3,6,8,11H,4-5,7,9,14H2,1H3;2-3H,7H2,1H3,(H3,8,9,10).
What are the key properties of (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine?
(2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine has a molecular weight of 372.47 g/mol, XLogP of 1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl) 1-methylpiperidine-2-carboxylate;6-N-methylpyridine-2,3,6-triamine is sourced from PubChem (CID 164908612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).