methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate

C19H24N4O2 — CID 71233268

IUPACmethyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2ccnc(N[C@@H]3CCCCC3N)c2)c1
InChIInChI=1S/C19H24N4O2/c1-25-19(24)22-15-6-4-5-13(11-15)14-9-10-21-18(12-14)23-17-8-3-2-7-16(17)20/h4-6,9-12,16-17H,2-3,7-8,20H2,1H3,(H,21,23)(H,22,24)/t16?,17-/m1/s1
InChIKeyUGEHCLPRGQTTSE-ZYMOGRSISA-N
MW340.43 g/mol
LogP3.61
Rot. Bonds4

About methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate

methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate (PubChem CID 71233268) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate
PubChem CID71233268
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namemethyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2ccnc(N[C@@H]3CCCCC3N)c2)c1
InChIInChI=1S/C19H24N4O2/c1-25-19(24)22-15-6-4-5-13(11-15)14-9-10-21-18(12-14)23-17-8-3-2-7-16(17)20/h4-6,9-12,16-17H,2-3,7-8,20H2,1H3,(H,21,23)(H,22,24)/t16?,17-/m1/s1
InChIKeyUGEHCLPRGQTTSE-ZYMOGRSISA-N
XLogP3.61
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate
CID 123674082
2-N-[(1R,2R)-2-aminocyclohexyl]-4-N,4-N-dimethylpyridine-2,4-diamine
CID 71568647
2-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol;5-piperidin-1-ylpyridine-2-carbonitrile
CID 144513173
methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
CID 79459255
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
CID 66329078
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
CID 93452802
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)pyridine-3-carboxamide;6-chloro-4-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine
CID 158170867
methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
CID 54864154
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67776986

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate (CID 71233268) is methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate is COC(=O)Nc1cccc(-c2ccnc(N[C@@H]3CCCCC3N)c2)c1.
What is the InChIKey of methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate?
The InChIKey is UGEHCLPRGQTTSE-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-19(24)22-15-6-4-5-13(11-15)14-9-10-21-18(12-14)23-17-8-3-2-7-16(17)20/h4-6,9-12,16-17H,2-3,7-8,20H2,1H3,(H,21,23)(H,22,24)/t16?,17-/m1/s1.
What are the key properties of methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate?
methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate has a molecular weight of 340.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate is sourced from PubChem (CID 71233268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).