N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide

C21H35N5O — CID 42191927

IUPACN-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C1CCN(C)CC1
InChIInChI=1S/C21H35N5O/c1-15(23-20(27)17-10-12-25(3)13-11-17)19-14-22-21(24-16(19)2)26(4)18-8-6-5-7-9-18/h14-15,17-18H,5-13H2,1-4H3,(H,23,27)/t15-/m1/s1
InChIKeyYVHRDSHNDANFLK-OAHLLOKOSA-N
MW373.55 g/mol
LogP3.07
Rot. Bonds5

About N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide

N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide (PubChem CID 42191927) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide
PubChem CID42191927
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC NameN-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C1CCN(C)CC1
InChIInChI=1S/C21H35N5O/c1-15(23-20(27)17-10-12-25(3)13-11-17)19-14-22-21(24-16(19)2)26(4)18-8-6-5-7-9-18/h14-15,17-18H,5-13H2,1-4H3,(H,23,27)/t15-/m1/s1
InChIKeyYVHRDSHNDANFLK-OAHLLOKOSA-N
XLogP3.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide (CID 42191927) is N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide is Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C1CCN(C)CC1.
What is the InChIKey of N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is YVHRDSHNDANFLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H35N5O/c1-15(23-20(27)17-10-12-25(3)13-11-17)19-14-22-21(24-16(19)2)26(4)18-8-6-5-7-9-18/h14-15,17-18H,5-13H2,1-4H3,(H,23,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide?
N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 373.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 42191927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).