N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide

C14H19N5O4 — CID 122212313

IUPACN-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)C(=O)N[C@@H](C)C(=O)NCC(N)=O
InChIInChI=1S/C14H19N5O4/c1-8(12(21)17-7-11(15)20)18-13(22)9(2)19-14(23)10-3-5-16-6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,15,20)(H,17,21)(H,18,22)(H,19,23)/t8-,9-/m0/s1
InChIKeyKMHPHCQYKSPHHS-IUCAKERBSA-N
MW321.34 g/mol
LogP-1.69
Rot. Bonds7

About N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide

N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide (PubChem CID 122212313) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID122212313
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC NameN-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)C(=O)N[C@@H](C)C(=O)NCC(N)=O
InChIInChI=1S/C14H19N5O4/c1-8(12(21)17-7-11(15)20)18-13(22)9(2)19-14(23)10-3-5-16-6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,15,20)(H,17,21)(H,18,22)(H,19,23)/t8-,9-/m0/s1
InChIKeyKMHPHCQYKSPHHS-IUCAKERBSA-N
XLogP-1.69
TPSA143.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide (CID 122212313) is N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccncc1)C(=O)N[C@@H](C)C(=O)NCC(N)=O.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
The InChIKey is KMHPHCQYKSPHHS-IUCAKERBSA-N. The full InChI is InChI=1S/C14H19N5O4/c1-8(12(21)17-7-11(15)20)18-13(22)9(2)19-14(23)10-3-5-16-6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,15,20)(H,17,21)(H,18,22)(H,19,23)/t8-,9-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of -1.69, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 122212313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).