5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile

C18H27N5O2 — CID 71118547

IUPAC5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C(C)C)c(N)cc2C#N)CC1C
InChIInChI=1S/C18H27N5O2/c1-12(2)17-15(20)9-14(10-19)18(21-17)22-6-7-23(13(3)11-22)16(24)5-8-25-4/h9,12-13H,5-8,11,20H2,1-4H3
InChIKeyBBFANHYSSFVCOM-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.73
Rot. Bonds5

About 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile

5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 71118547) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID71118547
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C(C)C)c(N)cc2C#N)CC1C
InChIInChI=1S/C18H27N5O2/c1-12(2)17-15(20)9-14(10-19)18(21-17)22-6-7-23(13(3)11-22)16(24)5-8-25-4/h9,12-13H,5-8,11,20H2,1-4H3
InChIKeyBBFANHYSSFVCOM-UHFFFAOYSA-N
XLogP1.73
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-phenylmethoxy-6-propan-2-ylpyridine-3-carbonitrile
CID 71119102
5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 71119143
5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 86728501
4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]benzamide
CID 71119558
6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-(2-methylpyrazol-3-yl)pyridine-3-carbonitrile
CID 71119233
5-[2,6-bis(ethenyl)-4-pyridinyl]-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 90301745
5-(2-amino-1,3-benzothiazol-6-yl)-6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288553
6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 90301820
N-[4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
CID 90301565
5-[(2-chloro-4-pyridinyl)oxy]-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288229
6-cyclopropyl-5-(3-ethylphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 135292165
5-(4-ethylphenyl)-2-[4-(3-methoxy-2-oxopropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 135285053

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile (CID 71118547) is 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile is COCCC(=O)N1CCN(c2nc(C(C)C)c(N)cc2C#N)CC1C.
What is the InChIKey of 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is BBFANHYSSFVCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)17-15(20)9-14(10-19)18(21-17)22-6-7-23(13(3)11-22)16(24)5-8-25-4/h9,12-13H,5-8,11,20H2,1-4H3.
What are the key properties of 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 345.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 71118547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).