N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide

C14H18N6O — CID 71807673

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2cccnc2)c(N(C)C)n1
InChIInChI=1S/C14H18N6O/c1-19(2)12-11(9-16-14(18-12)20(3)4)17-13(21)10-6-5-7-15-8-10/h5-9H,1-4H3,(H,17,21)
InChIKeyICKCMRCSPTVRBP-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.26
Rot. Bonds4

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide (PubChem CID 71807673) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
PubChem CID71807673
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2cccnc2)c(N(C)C)n1
InChIInChI=1S/C14H18N6O/c1-19(2)12-11(9-16-14(18-12)20(3)4)17-13(21)10-6-5-7-15-8-10/h5-9H,1-4H3,(H,17,21)
InChIKeyICKCMRCSPTVRBP-UHFFFAOYSA-N
XLogP1.26
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 47234684
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
CID 122319649
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
CID 122319737
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-6-cyclopentyloxypyridine-3-carboxamide
CID 122319775
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[5-amino-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 91675954
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide
CID 122319607
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
CID 91969256
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide (CID 71807673) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide is CN(C)c1ncc(NC(=O)c2cccnc2)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide?
The InChIKey is ICKCMRCSPTVRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-19(2)12-11(9-16-14(18-12)20(3)4)17-13(21)10-6-5-7-15-8-10/h5-9H,1-4H3,(H,17,21).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71807673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).