(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide

C19H30N4O — CID 124754969

IUPAC(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide
SMILESC[C@@H](CCC(=O)N(Cc1ccncc1)C1CC1)N1CCN(C)CC1
InChIInChI=1S/C19H30N4O/c1-16(22-13-11-21(2)12-14-22)3-6-19(24)23(18-4-5-18)15-17-7-9-20-10-8-17/h7-10,16,18H,3-6,11-15H2,1-2H3/t16-/m0/s1
InChIKeyPHWQYVRRABOERH-INIZCTEOSA-N
MW330.48 g/mol
LogP1.99
Rot. Bonds7

About (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide

(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide (PubChem CID 124754969) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide
PubChem CID124754969
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide
SMILESC[C@@H](CCC(=O)N(Cc1ccncc1)C1CC1)N1CCN(C)CC1
InChIInChI=1S/C19H30N4O/c1-16(22-13-11-21(2)12-14-22)3-6-19(24)23(18-4-5-18)15-17-7-9-20-10-8-17/h7-10,16,18H,3-6,11-15H2,1-2H3/t16-/m0/s1
InChIKeyPHWQYVRRABOERH-INIZCTEOSA-N
XLogP1.99
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 68774075
(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126434964
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide
CID 70763922
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
CID 174663762
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 56903356
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-cyclopropyl-2-imidazol-1-yl-N-(pyridin-4-ylmethyl)acetamide
CID 91777308

Frequently Asked Questions

What is the IUPAC name of (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide?
The IUPAC name of (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide (CID 124754969) is (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide.
What is the SMILES notation for (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide?
The canonical SMILES for (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide is C[C@@H](CCC(=O)N(Cc1ccncc1)C1CC1)N1CCN(C)CC1.
What is the InChIKey of (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide?
The InChIKey is PHWQYVRRABOERH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16(22-13-11-21(2)12-14-22)3-6-19(24)23(18-4-5-18)15-17-7-9-20-10-8-17/h7-10,16,18H,3-6,11-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide?
(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide has a molecular weight of 330.48 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide is sourced from PubChem (CID 124754969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).