(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone

C17H21N5O — CID 70767205

IUPAC(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCCCC(N)C1
InChIInChI=1S/C17H21N5O/c1-12-15(17(23)22-8-3-2-6-14(18)11-22)10-20-16(21-12)13-5-4-7-19-9-13/h4-5,7,9-10,14H,2-3,6,8,11,18H2,1H3
InChIKeyQVXYGJWFPTYXMA-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.80
Rot. Bonds2

About (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone

(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone (PubChem CID 70767205) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
PubChem CID70767205
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCCCC(N)C1
InChIInChI=1S/C17H21N5O/c1-12-15(17(23)22-8-3-2-6-14(18)11-22)10-20-16(21-12)13-5-4-7-19-9-13/h4-5,7,9-10,14H,2-3,6,8,11,18H2,1H3
InChIKeyQVXYGJWFPTYXMA-UHFFFAOYSA-N
XLogP1.80
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97271958
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 171330305
[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193736
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 72895677
(3R,4S)-3-hydroxy-1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163306068
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 91771542
(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 74237399
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 172664673
[(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
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268

Frequently Asked Questions

What is the IUPAC name of (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone?
The IUPAC name of (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone (CID 70767205) is (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone?
The canonical SMILES for (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone is Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCCC(N)C1.
What is the InChIKey of (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone?
The InChIKey is QVXYGJWFPTYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-15(17(23)22-8-3-2-6-14(18)11-22)10-20-16(21-12)13-5-4-7-19-9-13/h4-5,7,9-10,14H,2-3,6,8,11,18H2,1H3.
What are the key properties of (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone?
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70767205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).