N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide

C16H26N4O — CID 130375933

IUPACN-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cnnc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1
InChIInChI=1S/C16H26N4O/c1-10(2)13-6-14(19-17-7-13)16(21)18-15-9-20(11(3)4)8-12(15)5/h6-7,10-12,15H,8-9H2,1-5H3,(H,18,21)/t12-,15+/m0/s1
InChIKeyIJUNXUCOZSXVBQ-SWLSCSKDSA-N
MW290.41 g/mol
LogP2.06
Rot. Bonds4

About N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide

N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide (PubChem CID 130375933) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide
PubChem CID130375933
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cnnc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1
InChIInChI=1S/C16H26N4O/c1-10(2)13-6-14(19-17-7-13)16(21)18-15-9-20(11(3)4)8-12(15)5/h6-7,10-12,15H,8-9H2,1-5H3,(H,18,21)/t12-,15+/m0/s1
InChIKeyIJUNXUCOZSXVBQ-SWLSCSKDSA-N
XLogP2.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide (CID 130375933) is N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cnnc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1.
What is the InChIKey of N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is IJUNXUCOZSXVBQ-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10(2)13-6-14(19-17-7-13)16(21)18-15-9-20(11(3)4)8-12(15)5/h6-7,10-12,15H,8-9H2,1-5H3,(H,18,21)/t12-,15+/m0/s1.
What are the key properties of N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide?
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 130375933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).