N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide

C23H32N6O — CID 110229233

IUPACN-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
SMILESCN(C)c1ncc(CN2CCC(C(NC(=O)C3CCC3)c3ccccn3)CC2)cn1
InChIInChI=1S/C23H32N6O/c1-28(2)23-25-14-17(15-26-23)16-29-12-9-18(10-13-29)21(20-8-3-4-11-24-20)27-22(30)19-6-5-7-19/h3-4,8,11,14-15,18-19,21H,5-7,9-10,12-13,16H2,1-2H3,(H,27,30)
InChIKeyXMARLVJMANKHIO-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.81
Rot. Bonds7

About N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide

N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide (PubChem CID 110229233) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
PubChem CID110229233
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC NameN-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
SMILESCN(C)c1ncc(CN2CCC(C(NC(=O)C3CCC3)c3ccccn3)CC2)cn1
InChIInChI=1S/C23H32N6O/c1-28(2)23-25-14-17(15-26-23)16-29-12-9-18(10-13-29)21(20-8-3-4-11-24-20)27-22(30)19-6-5-7-19/h3-4,8,11,14-15,18-19,21H,5-7,9-10,12-13,16H2,1-2H3,(H,27,30)
InChIKeyXMARLVJMANKHIO-UHFFFAOYSA-N
XLogP2.81
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577274
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 110226611
N-[(S)-[(3S)-1-[(6-methoxynaphthalen-2-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 95795545
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110241999
N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 92577230
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
2-methoxy-N-[(R)-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92562260
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491
2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide (CID 110229233) is N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide is CN(C)c1ncc(CN2CCC(C(NC(=O)C3CCC3)c3ccccn3)CC2)cn1.
What is the InChIKey of N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
The InChIKey is XMARLVJMANKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-28(2)23-25-14-17(15-26-23)16-29-12-9-18(10-13-29)21(20-8-3-4-11-24-20)27-22(30)19-6-5-7-19/h3-4,8,11,14-15,18-19,21H,5-7,9-10,12-13,16H2,1-2H3,(H,27,30).
What are the key properties of N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide is sourced from PubChem (CID 110229233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).