(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone

C19H24N2O2 — CID 139998176

IUPAC(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCCC(C)Oc1cccc(C(=O)c2cccnc2NC(C)C)c1
InChIInChI=1S/C19H24N2O2/c1-5-14(4)23-16-9-6-8-15(12-16)18(22)17-10-7-11-20-19(17)21-13(2)3/h6-14H,5H2,1-4H3,(H,20,21)
InChIKeySNBJJQNYCZCQRC-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.31
Rot. Bonds7

About (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone

(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone (PubChem CID 139998176) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
PubChem CID139998176
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCCC(C)Oc1cccc(C(=O)c2cccnc2NC(C)C)c1
InChIInChI=1S/C19H24N2O2/c1-5-14(4)23-16-9-6-8-15(12-16)18(22)17-10-7-11-20-19(17)21-13(2)3/h6-14H,5H2,1-4H3,(H,20,21)
InChIKeySNBJJQNYCZCQRC-UHFFFAOYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998211
[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone
CID 139998143
[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998155
[2-(hexylamino)-3-pyridinyl]-(3-propan-2-yloxyphenyl)methanone
CID 139998195
(3-ethoxyphenyl)-[2-(octylamino)-3-pyridinyl]methanone
CID 139998068
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
CID 139998041
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
CID 139998122
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998170
[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone
CID 139998031
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The IUPAC name of (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone (CID 139998176) is (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone is CCC(C)Oc1cccc(C(=O)c2cccnc2NC(C)C)c1.
What is the InChIKey of (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The InChIKey is SNBJJQNYCZCQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-14(4)23-16-9-6-8-15(12-16)18(22)17-10-7-11-20-19(17)21-13(2)3/h6-14H,5H2,1-4H3,(H,20,21).
What are the key properties of (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone has a molecular weight of 312.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 139998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).