[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone

C21H22N6O — CID 110111803

IUPAC[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone
SMILESCc1cccc(Nc2cc(C3CCCN(C(=O)c4cccnn4)C3)ccn2)n1
InChIInChI=1S/C21H22N6O/c1-15-5-2-8-19(24-15)25-20-13-16(9-11-22-20)17-6-4-12-27(14-17)21(28)18-7-3-10-23-26-18/h2-3,5,7-11,13,17H,4,6,12,14H2,1H3,(H,22,24,25)
InChIKeyBXUHTZSVOWKTAV-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.34
Rot. Bonds4

About [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone

[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone (PubChem CID 110111803) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone
PubChem CID110111803
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone
SMILESCc1cccc(Nc2cc(C3CCCN(C(=O)c4cccnn4)C3)ccn2)n1
InChIInChI=1S/C21H22N6O/c1-15-5-2-8-19(24-15)25-20-13-16(9-11-22-20)17-6-4-12-27(14-17)21(28)18-7-3-10-23-26-18/h2-3,5,7-11,13,17H,4,6,12,14H2,1H3,(H,22,24,25)
InChIKeyBXUHTZSVOWKTAV-UHFFFAOYSA-N
XLogP3.34
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(E)-4-(dimethylamino)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]but-2-en-1-one
CID 132765628
(E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one
CID 132765793
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125013777
1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 171147530
2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 110111589
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95821107
[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110255878
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
(6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125002680
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
CID 125002735
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814602

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone (CID 110111803) is [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone is Cc1cccc(Nc2cc(C3CCCN(C(=O)c4cccnn4)C3)ccn2)n1.
What is the InChIKey of [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone?
The InChIKey is BXUHTZSVOWKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-15-5-2-8-19(24-15)25-20-13-16(9-11-22-20)17-6-4-12-27(14-17)21(28)18-7-3-10-23-26-18/h2-3,5,7-11,13,17H,4,6,12,14H2,1H3,(H,22,24,25).
What are the key properties of [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone?
[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone has a molecular weight of 374.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 110111803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).