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

C20H25ClN6O2 — CID 123430141

IUPACN-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cc(NCC3CCOCC3)cnn2)c(Cl)cn1)C1CCNC1
InChIInChI=1S/C20H25ClN6O2/c21-17-12-24-19(26-20(28)14-1-4-22-10-14)8-16(17)18-7-15(11-25-27-18)23-9-13-2-5-29-6-3-13/h7-8,11-14,22H,1-6,9-10H2,(H,23,27)(H,24,26,28)
InChIKeyOQDMMMXJLSYXAA-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.58
Rot. Bonds6

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

N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 123430141) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID123430141
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC NameN-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cc(NCC3CCOCC3)cnn2)c(Cl)cn1)C1CCNC1
InChIInChI=1S/C20H25ClN6O2/c21-17-12-24-19(26-20(28)14-1-4-22-10-14)8-16(17)18-7-15(11-25-27-18)23-9-13-2-5-29-6-3-13/h7-8,11-14,22H,1-6,9-10H2,(H,23,27)(H,24,26,28)
InChIKeyOQDMMMXJLSYXAA-UHFFFAOYSA-N
XLogP2.58
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[3-[[[5-chloro-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475618
US10717746, Example 2
CID 124155310
(2R)-N-[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide
CID 60142176
US9586948, Example 17
CID 117872492
US10717746, Example 13
CID 124155216
N-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]amino]cyclohexyl]methyl]acetamide
CID 70794000
US20240018122, Example 97
CID 163902865
US20240018122, Example 18
CID 168072234
US20240018122, Example 102
CID 168072296
US20240018122, Example 74
CID 168072325
US20240018122, Example 7
CID 168072329
US20240018122, Example 15
CID 168072332

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide (CID 123430141) is N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide is O=C(Nc1cc(-c2cc(NCC3CCOCC3)cnn2)c(Cl)cn1)C1CCNC1.
What is the InChIKey of N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is OQDMMMXJLSYXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O2/c21-17-12-24-19(26-20(28)14-1-4-22-10-14)8-16(17)18-7-15(11-25-27-18)23-9-13-2-5-29-6-3-13/h7-8,11-14,22H,1-6,9-10H2,(H,23,27)(H,24,26,28).
What are the key properties of N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide?
N-[5-chloro-4-[5-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 2.58, 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-(oxan-4-ylmethylamino)pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 123430141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).