methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate

C18H28N4O3 — CID 56739674

IUPACmethyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCc1cccnc1N(C)C1CCCCC1
InChIInChI=1S/C18H28N4O3/c1-13(21-18(24)25-3)17(23)20-12-14-8-7-11-19-16(14)22(2)15-9-5-4-6-10-15/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyXSPMCOMBWYYUHE-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.21
Rot. Bonds6

About methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate

methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 56739674) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID56739674
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Namemethyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCc1cccnc1N(C)C1CCCCC1
InChIInChI=1S/C18H28N4O3/c1-13(21-18(24)25-3)17(23)20-12-14-8-7-11-19-16(14)22(2)15-9-5-4-6-10-15/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyXSPMCOMBWYYUHE-UHFFFAOYSA-N
XLogP2.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 42189481
(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 25311957
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
CID 42148071
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26333850
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 25296594
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide
CID 125443806
N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine
CID 42394037
3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine
CID 26398138
4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46470503

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate (CID 56739674) is methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)C(=O)NCc1cccnc1N(C)C1CCCCC1.
What is the InChIKey of methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is XSPMCOMBWYYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13(21-18(24)25-3)17(23)20-12-14-8-7-11-19-16(14)22(2)15-9-5-4-6-10-15/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate?
methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 348.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 56739674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).