N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

C21H30N6O — CID 110093095

IUPACN,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1
InChIInChI=1S/C21H30N6O/c1-4-27(5-2)20(28)15-26-11-7-17(8-12-26)19-14-18(13-16(3)24-19)25-21-22-9-6-10-23-21/h6,9-10,13-14,17H,4-5,7-8,11-12,15H2,1-3H3,(H,22,23,24,25)
InChIKeyUHLVJRPAHTUZAC-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.97
Rot. Bonds7

About N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110093095) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
PubChem CID110093095
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1
InChIInChI=1S/C21H30N6O/c1-4-27(5-2)20(28)15-26-11-7-17(8-12-26)19-14-18(13-16(3)24-19)25-21-22-9-6-10-23-21/h6,9-10,13-14,17H,4-5,7-8,11-12,15H2,1-3H3,(H,22,23,24,25)
InChIKeyUHLVJRPAHTUZAC-UHFFFAOYSA-N
XLogP2.97
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093773
N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110264925
N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093178
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093101
3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124952390
N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093124
N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide
CID 175656550
1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093108
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093175
1-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110264963
2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide
CID 95809099

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110093095) is N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is UHLVJRPAHTUZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-4-27(5-2)20(28)15-26-11-7-17(8-12-26)19-14-18(13-16(3)24-19)25-21-22-9-6-10-23-21/h6,9-10,13-14,17H,4-5,7-8,11-12,15H2,1-3H3,(H,22,23,24,25).
What are the key properties of N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110093095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).