N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide

C16H20N6O2 — CID 124991567

IUPACN-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide
SMILESCc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccnn3)C2)ncn1
InChIInChI=1S/C16H20N6O2/c1-12-8-14(18-11-17-12)22-7-5-16(24,10-22)9-21(2)15(23)13-4-3-6-19-20-13/h3-4,6,8,11,24H,5,7,9-10H2,1-2H3/t16-/m1/s1
InChIKeyPKKHSPAOSWUHIP-MRXNPFEDSA-N
MW328.38 g/mol
LogP0.29
Rot. Bonds4

About N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide

N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide (PubChem CID 124991567) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide
PubChem CID124991567
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide
SMILESCc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccnn3)C2)ncn1
InChIInChI=1S/C16H20N6O2/c1-12-8-14(18-11-17-12)22-7-5-16(24,10-22)9-21(2)15(23)13-4-3-6-19-20-13/h3-4,6,8,11,24H,5,7,9-10H2,1-2H3/t16-/m1/s1
InChIKeyPKKHSPAOSWUHIP-MRXNPFEDSA-N
XLogP0.29
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 110124391
N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 125003057
N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124980816
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 124976909
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide
CID 124957441
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 124998894
N-[[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 124971244
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 124966338
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 124943331
3-(1H-benzimidazol-2-yl)-N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
CID 124991644
3-(1H-benzimidazol-2-yl)-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
CID 124991645
3-(1H-benzimidazol-2-yl)-N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
CID 110163396

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide (CID 124991567) is N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide is Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccnn3)C2)ncn1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is PKKHSPAOSWUHIP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-12-8-14(18-11-17-12)22-7-5-16(24,10-22)9-21(2)15(23)13-4-3-6-19-20-13/h3-4,6,8,11,24H,5,7,9-10H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide?
N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 124991567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).