6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide

C14H22ClN5O — CID 133417486

IUPAC6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide
SMILESCC(C)CN1CCC[C@@H]1CNc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C14H22ClN5O/c1-9(2)8-20-5-3-4-10(20)7-17-14-11(13(16)21)6-12(15)18-19-14/h6,9-10H,3-5,7-8H2,1-2H3,(H2,16,21)(H,17,19)/t10-/m1/s1
InChIKeyJHAQYVMPVPERII-SNVBAGLBSA-N
MW311.82 g/mol
LogP1.76
Rot. Bonds6

About 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide

6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide (PubChem CID 133417486) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide
PubChem CID133417486
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide
SMILESCC(C)CN1CCC[C@@H]1CNc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C14H22ClN5O/c1-9(2)8-20-5-3-4-10(20)7-17-14-11(13(16)21)6-12(15)18-19-14/h6,9-10H,3-5,7-8H2,1-2H3,(H2,16,21)(H,17,19)/t10-/m1/s1
InChIKeyJHAQYVMPVPERII-SNVBAGLBSA-N
XLogP1.76
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-6-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133417484
6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide
CID 133340874
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine
CID 133417515
5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one
CID 133417471
6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417435
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
6-(3,5-dimethylphenyl)-4-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidine-2,4-diamine
CID 174852415
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546417
2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417422
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide (CID 133417486) is 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide is CC(C)CN1CCC[C@@H]1CNc1nnc(Cl)cc1C(N)=O.
What is the InChIKey of 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide?
The InChIKey is JHAQYVMPVPERII-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-9(2)8-20-5-3-4-10(20)7-17-14-11(13(16)21)6-12(15)18-19-14/h6,9-10H,3-5,7-8H2,1-2H3,(H2,16,21)(H,17,19)/t10-/m1/s1.
What are the key properties of 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide?
6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide has a molecular weight of 311.82 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide is sourced from PubChem (CID 133417486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).