(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine

C23H33N5O — CID 118264048

IUPAC(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2ncc(C)cc2-c2cnc(C)cn2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C23H33N5O/c1-16-11-19(21-14-24-17(2)13-25-21)23(26-12-16)28-10-9-20(22(15-28)29-3)27-18-7-5-4-6-8-18/h11-14,18,20,22,27H,4-10,15H2,1-3H3/t20-,22+/m1/s1
InChIKeyCGUPIHDSSMRRPU-IRLDBZIGSA-N
MW395.55 g/mol
LogP3.67
Rot. Bonds5

About (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine

(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 118264048) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID118264048
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2ncc(C)cc2-c2cnc(C)cn2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C23H33N5O/c1-16-11-19(21-14-24-17(2)13-25-21)23(26-12-16)28-10-9-20(22(15-28)29-3)27-18-7-5-4-6-8-18/h11-14,18,20,22,27H,4-10,15H2,1-3H3/t20-,22+/m1/s1
InChIKeyCGUPIHDSSMRRPU-IRLDBZIGSA-N
XLogP3.67
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Sra-737
CID 72165232
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
Pyrazine-Pyridine Biheteroaryl 52
CID 5330380
4-Methyl-6-[2-(5-Morpholin-4-Ylpyridin-3-Yl)ethyl]pyridin-2-Amine
CID 119081686
6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine
CID 156587340
5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613493
4-[[2-(Butylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793607
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379
Pyrazine-Pyridine Biheteroaryl 32
CID 5330365
6-(2-(5-((2-Methoxyethyl)(Methyl)amino)pyridin-3-Yl)ethyl)-4-Methylpyridin-2-Amine
CID 119057275
5-[[5-(4-fluorophenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 42610919

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine (CID 118264048) is (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine is CO[C@H]1CN(c2ncc(C)cc2-c2cnc(C)cn2)CC[C@H]1NC1CCCCC1.
What is the InChIKey of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is CGUPIHDSSMRRPU-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H33N5O/c1-16-11-19(21-14-24-17(2)13-25-21)23(26-12-16)28-10-9-20(22(15-28)29-3)27-18-7-5-4-6-8-18/h11-14,18,20,22,27H,4-10,15H2,1-3H3/t20-,22+/m1/s1.
What are the key properties of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine?
(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 395.55 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118264048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).