N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide

C22H22N6O2 — CID 155911052

IUPACN-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc2c(c1)CN(C(=O)c1cnc(-c3cccnc3)nc1C)CC2
InChIInChI=1S/C22H22N6O2/c1-14-19(12-26-21(27-14)17-4-3-6-23-11-17)22(30)28-7-5-20-18(13-28)8-16(10-25-20)9-24-15(2)29/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3,(H,24,29)
InChIKeyMIMQSPXIQICUKG-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.08
Rot. Bonds4

About N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide

N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide (PubChem CID 155911052) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide
PubChem CID155911052
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc2c(c1)CN(C(=O)c1cnc(-c3cccnc3)nc1C)CC2
InChIInChI=1S/C22H22N6O2/c1-14-19(12-26-21(27-14)17-4-3-6-23-11-17)22(30)28-7-5-20-18(13-28)8-16(10-25-20)9-24-15(2)29/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3,(H,24,29)
InChIKeyMIMQSPXIQICUKG-UHFFFAOYSA-N
XLogP2.08
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 166623510
[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193736
(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 74237399
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 91771542
2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide
CID 155916991
N-hydroxy-6-(4-methyl-2-phenylpyrimidine-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157601
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 164694318
formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 171330305
N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
CID 118755862
(3R,4S)-3-hydroxy-1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163306068
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50961051

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide?
The IUPAC name of N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide (CID 155911052) is N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide is CC(=O)NCc1cnc2c(c1)CN(C(=O)c1cnc(-c3cccnc3)nc1C)CC2.
What is the InChIKey of N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide?
The InChIKey is MIMQSPXIQICUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14-19(12-26-21(27-14)17-4-3-6-23-11-17)22(30)28-7-5-20-18(13-28)8-16(10-25-20)9-24-15(2)29/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3,(H,24,29).
What are the key properties of N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide?
N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide has a molecular weight of 402.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 155911052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).