5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide

C22H25ClN8O2 — CID 177246112

IUPAC5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccnc(Nc4ncc(Cl)c(=O)[nH]4)c3)CC2)c(C)n1
InChIInChI=1S/C22H25ClN8O2/c1-14-18(4-3-17(27-14)21(33)24-2)31-9-7-30(8-10-31)13-15-5-6-25-19(11-15)28-22-26-12-16(23)20(32)29-22/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,33)(H2,25,26,28,29,32)
InChIKeyWGMSCPYICDDDCS-UHFFFAOYSA-N
MW468.95 g/mol
LogP1.95
Rot. Bonds6

About 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide

5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 177246112) has the molecular formula C22H25ClN8O2 and a molecular weight of 468.95 g/mol. Its IUPAC name is 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID177246112
Molecular FormulaC22H25ClN8O2
Molecular Weight468.95 g/mol
Exact Mass468.18
IUPAC Name5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccnc(Nc4ncc(Cl)c(=O)[nH]4)c3)CC2)c(C)n1
InChIInChI=1S/C22H25ClN8O2/c1-14-18(4-3-17(27-14)21(33)24-2)31-9-7-30(8-10-31)13-15-5-6-25-19(11-15)28-22-26-12-16(23)20(32)29-22/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,33)(H2,25,26,28,29,32)
InChIKeyWGMSCPYICDDDCS-UHFFFAOYSA-N
XLogP1.95
TPSA119.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171484069
N,6-dimethyl-5-[4-[(6-oxo-7,9-dihydro-5H-furo[3,4-c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572872
N,6-dimethyl-5-[4-[(2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560176
N,6-dimethyl-5-[4-[(4-oxo-5H-[1,2]thiazolo[5,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560181
6-methyl-5-[4-[(3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 175850852
N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171444818
N,6-dimethyl-5-[4-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,6]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 168957372
5-[4-[(5-chloro-2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 162524449
5-[4-[[5-(1,2-dihydroxyethyl)-3-methyl-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 168957283
6-chloro-5-[4-[(9-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572891
6-chloro-5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524577
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (CID 177246112) is 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccnc(Nc4ncc(Cl)c(=O)[nH]4)c3)CC2)c(C)n1.
What is the InChIKey of 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is WGMSCPYICDDDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN8O2/c1-14-18(4-3-17(27-14)21(33)24-2)31-9-7-30(8-10-31)13-15-5-6-25-19(11-15)28-22-26-12-16(23)20(32)29-22/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,33)(H2,25,26,28,29,32).
What are the key properties of 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 468.95 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 177246112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).