(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide

C16H26N4O — CID 125443806

IUPAC(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide
SMILESC[C@H](C(=O)NCc1cccnc1N)N(C)C1CCCCC1
InChIInChI=1S/C16H26N4O/c1-12(20(2)14-8-4-3-5-9-14)16(21)19-11-13-7-6-10-18-15(13)17/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H2,17,18)(H,19,21)/t12-/m1/s1
InChIKeyULSFBEMLLSLRIP-GFCCVEGCSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds5

About (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide

(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide (PubChem CID 125443806) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide
PubChem CID125443806
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide
SMILESC[C@H](C(=O)NCc1cccnc1N)N(C)C1CCCCC1
InChIInChI=1S/C16H26N4O/c1-12(20(2)14-8-4-3-5-9-14)16(21)19-11-13-7-6-10-18-15(13)17/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H2,17,18)(H,19,21)/t12-/m1/s1
InChIKeyULSFBEMLLSLRIP-GFCCVEGCSA-N
XLogP1.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 125178048
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-methyl-3-piperidin-1-ylpropanamide
CID 125442236
methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 56739674
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619
(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 25311957
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 42189481
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide
CID 72890769
(2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
CID 163340578
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide?
The IUPAC name of (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide (CID 125443806) is (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide.
What is the SMILES notation for (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide?
The canonical SMILES for (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide is C[C@H](C(=O)NCc1cccnc1N)N(C)C1CCCCC1.
What is the InChIKey of (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide?
The InChIKey is ULSFBEMLLSLRIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(20(2)14-8-4-3-5-9-14)16(21)19-11-13-7-6-10-18-15(13)17/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H2,17,18)(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide?
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide is sourced from PubChem (CID 125443806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).