N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

C19H21N5O3 — CID 97146618

IUPACN-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cnc(-c3cccnc3)[nH]c2=O)N(C)C)o1
InChIInChI=1S/C19H21N5O3/c1-12-6-7-16(27-12)15(24(2)3)11-22-18(25)14-10-21-17(23-19(14)26)13-5-4-8-20-9-13/h4-10,15H,11H2,1-3H3,(H,22,25)(H,21,23,26)/t15-/m1/s1
InChIKeyGWSGWFOGMRTDIP-OAHLLOKOSA-N
MW367.41 g/mol
LogP1.77
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 97146618) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID97146618
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cnc(-c3cccnc3)[nH]c2=O)N(C)C)o1
InChIInChI=1S/C19H21N5O3/c1-12-6-7-16(27-12)15(24(2)3)11-22-18(25)14-10-21-17(23-19(14)26)13-5-4-8-20-9-13/h4-10,15H,11H2,1-3H3,(H,22,25)(H,21,23,26)/t15-/m1/s1
InChIKeyGWSGWFOGMRTDIP-OAHLLOKOSA-N
XLogP1.77
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (CID 97146618) is N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is Cc1ccc([C@@H](CNC(=O)c2cnc(-c3cccnc3)[nH]c2=O)N(C)C)o1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is GWSGWFOGMRTDIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-6-7-16(27-12)15(24(2)3)11-22-18(25)14-10-21-17(23-19(14)26)13-5-4-8-20-9-13/h4-10,15H,11H2,1-3H3,(H,22,25)(H,21,23,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97146618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).