N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine

C23H34N4O — CID 143580209

IUPACN-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2NCC)ccc1NC(CC)COC
InChIInChI=1S/C23H34N4O/c1-8-17(14-28-7)25-21-13-12-20(26-22(21)16(5)6)18-10-11-19(15(3)4)27-23(18)24-9-2/h10-13,15,17,25H,5,8-9,14H2,1-4,6-7H3,(H,24,27)
InChIKeySHEBSONCUUUYQR-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.57
Rot. Bonds10

About N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine

N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine (PubChem CID 143580209) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine
PubChem CID143580209
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC NameN-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2NCC)ccc1NC(CC)COC
InChIInChI=1S/C23H34N4O/c1-8-17(14-28-7)25-21-13-12-20(26-22(21)16(5)6)18-10-11-19(15(3)4)27-23(18)24-9-2/h10-13,15,17,25H,5,8-9,14H2,1-4,6-7H3,(H,24,27)
InChIKeySHEBSONCUUUYQR-UHFFFAOYSA-N
XLogP5.57
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine with MolForge

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Related Compounds

5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine
CID 143014953
2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
CID 80836524
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
CID 114785349
2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine
CID 80837494
2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane
CID 143580310
N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane
CID 143580324
1-N-ethyl-3-N-(1-methoxybutan-2-yl)-2-nitrobenzene-1,3-diamine
CID 80837973
5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine
CID 143020016
2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol
CID 106198697
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80837212
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
3-methoxy-4-(1-methoxybutan-2-ylamino)benzonitrile
CID 104848089

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine?
The IUPAC name of N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine (CID 143580209) is N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine is C=C(C)c1nc(-c2ccc(C(C)C)nc2NCC)ccc1NC(CC)COC.
What is the InChIKey of N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine?
The InChIKey is SHEBSONCUUUYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-8-17(14-28-7)25-21-13-12-20(26-22(21)16(5)6)18-10-11-19(15(3)4)27-23(18)24-9-2/h10-13,15,17,25H,5,8-9,14H2,1-4,6-7H3,(H,24,27).
What are the key properties of N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine?
N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine has a molecular weight of 382.55 g/mol, XLogP of 5.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 143580209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).