N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C19H25N5O2 — CID 118764274

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)NCC1(N(C)C)CCOCC1
InChIInChI=1S/C19H25N5O2/c1-14-16(12-21-17(23-14)15-5-4-8-20-11-15)18(25)22-13-19(24(2)3)6-9-26-10-7-19/h4-5,8,11-12H,6-7,9-10,13H2,1-3H3,(H,22,25)
InChIKeyNKEZONLCPBEPRJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.69
Rot. Bonds5

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 118764274) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID118764274
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)NCC1(N(C)C)CCOCC1
InChIInChI=1S/C19H25N5O2/c1-14-16(12-21-17(23-14)15-5-4-8-20-11-15)18(25)22-13-19(24(2)3)6-9-26-10-7-19/h4-5,8,11-12H,6-7,9-10,13H2,1-3H3,(H,22,25)
InChIKeyNKEZONLCPBEPRJ-UHFFFAOYSA-N
XLogP1.69
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131892436
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
CID 119947204
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 165427073
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74251449
N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 163304674
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97207809
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74233605
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 70788637

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 118764274) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is Cc1nc(-c2cccnc2)ncc1C(=O)NCC1(N(C)C)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is NKEZONLCPBEPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-16(12-21-17(23-14)15-5-4-8-20-11-15)18(25)22-13-19(24(2)3)6-9-26-10-7-19/h4-5,8,11-12H,6-7,9-10,13H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 118764274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).