1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone

C19H29N3O2 — CID 157158321

IUPAC1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone
SMILESCC(=O)C1(c2cnc(N(CC(C)C)C3CCOCC3)c(N)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)12-22(16-4-8-24-9-5-16)18-17(20)10-15(11-21-18)19(6-7-19)14(3)23/h10-11,13,16H,4-9,12,20H2,1-3H3
InChIKeyAMBOPEUSWDNRLH-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.93
Rot. Bonds6

About 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone

1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone (PubChem CID 157158321) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone
PubChem CID157158321
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone
SMILESCC(=O)C1(c2cnc(N(CC(C)C)C3CCOCC3)c(N)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)12-22(16-4-8-24-9-5-16)18-17(20)10-15(11-21-18)19(6-7-19)14(3)23/h10-11,13,16H,4-9,12,20H2,1-3H3
InChIKeyAMBOPEUSWDNRLH-UHFFFAOYSA-N
XLogP2.93
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone with MolForge

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Related Compounds

1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropane-1-carbaldehyde;methoxyethane
CID 142509439
1-[1-[3-[(2-methoxypyrimidin-5-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]cyclopropyl]ethanone
CID 157217063
(3R)-3-[6-[2-methylpropyl(oxan-4-yl)amino]-5-nitro-3-pyridinyl]butanoic acid
CID 135151898
ethyl (3R)-3-[5-amino-6-[cyclohexyl(2-methylpropyl)amino]-3-pyridinyl]butanoate
CID 142383706
ethyl (E)-3-[6-[2-methylpropyl(oxan-4-yl)amino]-5-nitro-3-pyridinyl]but-2-enoate
CID 135177057
methyl 1-[5-[2-methylpropyl(oxan-4-yl)amino]-4-nitro-2-pyridinyl]cyclopropane-1-carboxylate
CID 137373308
(4R)-4-[5-[(5-chloro-2-pyridinyl)amino]-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]pentan-2-one
CID 157076445
methyl (E)-3-[6-[2-methylpropyl(oxan-4-yl)amino]-5-nitro-3-pyridinyl]but-2-enoate
CID 135177284
5-amino-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 81439658
methyl 1-[6-[ethyl(oxan-4-yl)amino]-5-nitro-3-pyridinyl]cyclobutane-1-carboxylate
CID 130331116
methyl (3R)-3-[3-amino-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate
CID 135153246
methyl 2-[3-amino-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]-2-methylpropanoate
CID 130331102

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone (CID 157158321) is 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone is CC(=O)C1(c2cnc(N(CC(C)C)C3CCOCC3)c(N)c2)CC1.
What is the InChIKey of 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone?
The InChIKey is AMBOPEUSWDNRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)12-22(16-4-8-24-9-5-16)18-17(20)10-15(11-21-18)19(6-7-19)14(3)23/h10-11,13,16H,4-9,12,20H2,1-3H3.
What are the key properties of 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone?
1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-amino-6-[2-methylpropyl(oxan-4-yl)amino]-3-pyridinyl]cyclopropyl]ethanone is sourced from PubChem (CID 157158321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).