6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide

C15H22ClN5O — CID 133341225

IUPAC6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C15H22ClN5O/c16-13-7-12(14(17)22)15(20-19-13)18-11-5-6-21(9-11)8-10-3-1-2-4-10/h7,10-11H,1-6,8-9H2,(H2,17,22)(H,18,20)
InChIKeyCKSMRLFRZQUSDH-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.91
Rot. Bonds5

About 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide

6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide (PubChem CID 133341225) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide
PubChem CID133341225
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C15H22ClN5O/c16-13-7-12(14(17)22)15(20-19-13)18-11-5-6-21(9-11)8-10-3-1-2-4-10/h7,10-11H,1-6,8-9H2,(H2,17,22)(H,18,20)
InChIKeyCKSMRLFRZQUSDH-UHFFFAOYSA-N
XLogP1.91
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-chloro-6-[[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68963293
6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
CID 133358123
6-chloro-3-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridazine-4-carboxamide
CID 133390785
(Z)-3-[5-chloro-6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-2-fluoroprop-2-enoic acid
CID 68961945
(E)-3-[6-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87789937
6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide
CID 133438757
6-chloro-N-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 47470211
ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
CID 133469048
ethyl 3-[5-chloro-6-[[1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enoate
CID 90728569
ethyl (Z)-3-[6-[[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-fluoroprop-2-enoate
CID 86603702
[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133277623
3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide
CID 114038451

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide (CID 133341225) is 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide is NC(=O)c1cc(Cl)nnc1NC1CCN(CC2CCCC2)C1.
What is the InChIKey of 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide?
The InChIKey is CKSMRLFRZQUSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O/c16-13-7-12(14(17)22)15(20-19-13)18-11-5-6-21(9-11)8-10-3-1-2-4-10/h7,10-11H,1-6,8-9H2,(H2,17,22)(H,18,20).
What are the key properties of 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide?
6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide has a molecular weight of 323.83 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133341225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).