6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide

C19H29N5O4 — CID 157015044

IUPAC6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)NCC(=O)NC)C[C@H]1NC(=O)c1ccc(N)nc1
InChIInChI=1S/C19H29N5O4/c1-3-8-28-15-6-4-12(18(26)23-11-17(25)21-2)9-14(15)24-19(27)13-5-7-16(20)22-10-13/h5,7,10,12,14-15H,3-4,6,8-9,11H2,1-2H3,(H2,20,22)(H,21,25)(H,23,26)(H,24,27)/t12-,14+,15+/m0/s1
InChIKeyHFTHTWZPIMUTCK-NWANDNLSSA-N
MW391.47 g/mol
LogP0.22
Rot. Bonds8

About 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide

6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide (PubChem CID 157015044) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide
PubChem CID157015044
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)NCC(=O)NC)C[C@H]1NC(=O)c1ccc(N)nc1
InChIInChI=1S/C19H29N5O4/c1-3-8-28-15-6-4-12(18(26)23-11-17(25)21-2)9-14(15)24-19(27)13-5-7-16(20)22-10-13/h5,7,10,12,14-15H,3-4,6,8-9,11H2,1-2H3,(H2,20,22)(H,21,25)(H,23,26)(H,24,27)/t12-,14+,15+/m0/s1
InChIKeyHFTHTWZPIMUTCK-NWANDNLSSA-N
XLogP0.22
TPSA135.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide (CID 157015044) is 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide is CCCO[C@@H]1CC[C@H](C(=O)NCC(=O)NC)C[C@H]1NC(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is HFTHTWZPIMUTCK-NWANDNLSSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-3-8-28-15-6-4-12(18(26)23-11-17(25)21-2)9-14(15)24-19(27)13-5-7-16(20)22-10-13/h5,7,10,12,14-15H,3-4,6,8-9,11H2,1-2H3,(H2,20,22)(H,21,25)(H,23,26)(H,24,27)/t12-,14+,15+/m0/s1.
What are the key properties of 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide?
6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 0.22, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1R,2R,5S)-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]-2-propoxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 157015044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).