N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide

C21H27ClN6O2 — CID 123514741

IUPACN-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC1(CNc2cnnc(-c3cc(NC(=O)C4CCNC4)ncc3Cl)c2)CCOCC1
InChIInChI=1S/C21H27ClN6O2/c1-21(3-6-30-7-4-21)13-25-15-8-18(28-26-11-15)16-9-19(24-12-17(16)22)27-20(29)14-2-5-23-10-14/h8-9,11-12,14,23H,2-7,10,13H2,1H3,(H,25,28)(H,24,27,29)
InChIKeyGHZULDNPUVNSKV-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.97
Rot. Bonds6

About N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide

N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 123514741) has the molecular formula C21H27ClN6O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID123514741
Molecular FormulaC21H27ClN6O2
Molecular Weight430.94 g/mol
Exact Mass430.19
IUPAC NameN-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC1(CNc2cnnc(-c3cc(NC(=O)C4CCNC4)ncc3Cl)c2)CCOCC1
InChIInChI=1S/C21H27ClN6O2/c1-21(3-6-30-7-4-21)13-25-15-8-18(28-26-11-15)16-9-19(24-12-17(16)22)27-20(29)14-2-5-23-10-14/h8-9,11-12,14,23H,2-7,10,13H2,1H3,(H,25,28)(H,24,27,29)
InChIKeyGHZULDNPUVNSKV-UHFFFAOYSA-N
XLogP2.97
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 123465542
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
N-[5-chloro-4-[6-[[(2R,6S)-2,6-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67221380
(3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90413200
N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 50991962
N-[5-chloro-4-[3-fluoro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407659
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
(3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90412692
(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67221821
N-[5-fluoro-4-[6-(oxan-4-ylmethylamino)pyridazin-4-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 123410226
methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67980053

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide (CID 123514741) is N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide is CC1(CNc2cnnc(-c3cc(NC(=O)C4CCNC4)ncc3Cl)c2)CCOCC1.
What is the InChIKey of N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is GHZULDNPUVNSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O2/c1-21(3-6-30-7-4-21)13-25-15-8-18(28-26-11-15)16-9-19(24-12-17(16)22)27-20(29)14-2-5-23-10-14/h8-9,11-12,14,23H,2-7,10,13H2,1H3,(H,25,28)(H,24,27,29).
What are the key properties of N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide?
N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 123514741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).