2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide

C18H31N5O2 — CID 142036004

IUPAC2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide
SMILESCCCC(C)CNCCNC(=O)C(Cc1ccncc1)NC(=O)CN
InChIInChI=1S/C18H31N5O2/c1-3-4-14(2)13-21-9-10-22-18(25)16(23-17(24)12-19)11-15-5-7-20-8-6-15/h5-8,14,16,21H,3-4,9-13,19H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLYMFOEAXJHMJPK-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.21
Rot. Bonds12

About 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide

2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide (PubChem CID 142036004) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide
PubChem CID142036004
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide
SMILESCCCC(C)CNCCNC(=O)C(Cc1ccncc1)NC(=O)CN
InChIInChI=1S/C18H31N5O2/c1-3-4-14(2)13-21-9-10-22-18(25)16(23-17(24)12-19)11-15-5-7-20-8-6-15/h5-8,14,16,21H,3-4,9-13,19H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLYMFOEAXJHMJPK-UHFFFAOYSA-N
XLogP0.21
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide (CID 142036004) is 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide is CCCC(C)CNCCNC(=O)C(Cc1ccncc1)NC(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide?
The InChIKey is LYMFOEAXJHMJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-3-4-14(2)13-21-9-10-22-18(25)16(23-17(24)12-19)11-15-5-7-20-8-6-15/h5-8,14,16,21H,3-4,9-13,19H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide?
2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 0.21, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-N-[2-(2-methylpentylamino)ethyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 142036004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).