2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide

C18H23N5O3 — CID 91791524

IUPAC2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C18H23N5O3/c1-12-13(10-20-18(21-12)23(2)3)17(24)22-14-11-25-9-7-15(14)26-16-6-4-5-8-19-16/h4-6,8,10,14-15H,7,9,11H2,1-3H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyRKWMUBURZIFEKJ-HUUCEWRRSA-N
MW357.41 g/mol
LogP1.21
Rot. Bonds5

About 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide

2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide (PubChem CID 91791524) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
PubChem CID91791524
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C18H23N5O3/c1-12-13(10-20-18(21-12)23(2)3)17(24)22-14-11-25-9-7-15(14)26-16-6-4-5-8-19-16/h4-6,8,10,14-15H,7,9,11H2,1-3H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyRKWMUBURZIFEKJ-HUUCEWRRSA-N
XLogP1.21
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea
CID 91777188
3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91764238
2-methylsulfanyl-N-(4-pyridin-2-yloxyoxan-3-yl)-1,3-thiazole-4-carboxamide
CID 156608294
2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
CID 91761769
1-phenyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]cyclopropane-1-carboxamide
CID 91795536
5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91798306
5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide
CID 91762397
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
CID 91786651
N-cyclopropyl-2-[[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]amino]pyridine-4-carboxamide
CID 91761162
2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91766386

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide (CID 91791524) is 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is RKWMUBURZIFEKJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-13(10-20-18(21-12)23(2)3)17(24)22-14-11-25-9-7-15(14)26-16-6-4-5-8-19-16/h4-6,8,10,14-15H,7,9,11H2,1-3H3,(H,22,24)/t14-,15-/m1/s1.
What are the key properties of 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide?
2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91791524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).