6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide

C16H21N7O — CID 124734406

IUPAC6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)n1
InChIInChI=1S/C16H21N7O/c1-11-9-13(21-16(17-2)19-11)15(24)20-12-5-4-8-23(10-12)14-6-3-7-18-22-14/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,20,24)(H,17,19,21)/t12-/m1/s1
InChIKeyMCXVQTJLVMKVDX-GFCCVEGCSA-N
MW327.39 g/mol
LogP1.02
Rot. Bonds4

About 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide

6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 124734406) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide
PubChem CID124734406
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)n1
InChIInChI=1S/C16H21N7O/c1-11-9-13(21-16(17-2)19-11)15(24)20-12-5-4-8-23(10-12)14-6-3-7-18-22-14/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,20,24)(H,17,19,21)/t12-/m1/s1
InChIKeyMCXVQTJLVMKVDX-GFCCVEGCSA-N
XLogP1.02
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide (CID 124734406) is 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)n1.
What is the InChIKey of 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is MCXVQTJLVMKVDX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N7O/c1-11-9-13(21-16(17-2)19-11)15(24)20-12-5-4-8-23(10-12)14-6-3-7-18-22-14/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,20,24)(H,17,19,21)/t12-/m1/s1.
What are the key properties of 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide?
6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124734406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).