6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C19H27N7O — CID 71625972

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C19H27N7O/c1-2-6-12-7-5-10-16(22-12)24-15-11-17(25-26-18(15)19(21)27)23-14-9-4-3-8-13(14)20/h5,7,10-11,13-14H,2-4,6,8-9,20H2,1H3,(H2,21,27)(H2,22,23,24,25)/t13-,14+/m0/s1
InChIKeyBSEKTGUNECMPGZ-UONOGXRCSA-N
MW369.47 g/mol
LogP2.35
Rot. Bonds7

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71625972) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71625972
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C19H27N7O/c1-2-6-12-7-5-10-16(22-12)24-15-11-17(25-26-18(15)19(21)27)23-14-9-4-3-8-13(14)20/h5,7,10-11,13-14H,2-4,6,8-9,20H2,1H3,(H2,21,27)(H2,22,23,24,25)/t13-,14+/m0/s1
InChIKeyBSEKTGUNECMPGZ-UONOGXRCSA-N
XLogP2.35
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330913
6-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(6-Ethylpyridin-2-Yl)amino]pyridazine-3-Carboxamide
CID 71598532
6-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(5,6-Dimethylpyridin-2-Yl)amino]pyridazine-3-Carboxamide
CID 71626896
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(triazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 71547422
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-2-(triazol-2-yl)pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 118733354
6-((1R,2S)-2-aminocyclohexylamino)-4-(6-isopropyl-5-methylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 71625970
6-((3R,4R)-3-aminotetrahydro-2H-pyran-4-ylamino)-4-(5-fluoro-6-isopropylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 71626102
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4,6-dimethyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 71626162
6-(Cyclohexylamino)-4-(6-cyclopropylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 71626163
6-((1R,2S)-2-amino-cyclohexylamino)-4-(6-methyl-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide
CID 71626755
6-((1R,2S)-2-aminocyclohexylamino)-4-(6-isopropylpyridin-2-ylamino)pyridazine-3-carboxamide
CID 71626822
6-((1R,2S)-2-aminocyclohexylamino)-4-(6-cyclopropylpyridin-2-ylamino) pyridazine-3-carboxamide
CID 71626894

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71625972) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide is CCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is BSEKTGUNECMPGZ-UONOGXRCSA-N. The full InChI is InChI=1S/C19H27N7O/c1-2-6-12-7-5-10-16(22-12)24-15-11-17(25-26-18(15)19(21)27)23-14-9-4-3-8-13(14)20/h5,7,10-11,13-14H,2-4,6,8-9,20H2,1H3,(H2,21,27)(H2,22,23,24,25)/t13-,14+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71625972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).